TY - CHAP A1 - Richter, Matthias A1 - Müller, Klaus A1 - Philip, Shine A1 - Paloumpa, Ioanna A1 - Henkel, Karsten A1 - Schmeißer, Dieter T1 - Temperature dependence of organic solar cell parameters T2 - Verhandlungen der Deutschen Physikalischen Gesellschaft ; Reihe 6, Bd. 44 N2 - The influence of an annealing step on the parameters of bulk heterojunction organic solar cells is investigated. In order to fabricate the solar cells we use glass coated with ITO (Indiumtinoxide) as a substrate on which the active layer consisting of P3HT and PCBM is spincoated. Al-electrodes are evaporated on top of the active layer. We use PEDOT:PSS as buffer layer. Each sample is annealed at different temperatures for a short time. Between every temperature step the I-V characteristic of the cell is measured. The following parameters are derived afterwards: FF, Isc (density), Voc. Also the efficiency is estimated. The results show a maximum cell efficiency for drying at 100°C for 20sec. A further important step for preparation is the drying procedure of the PEDOT:PSS layer. Here an improvement of about 50% in cell efficiency is measured after drying at 50°C for 5 days under inert gas atmosphere. Y1 - 2009 UR - http://www.dpg-verhandlungen.de/year/2009/conference/dresden/part/syop/session/4/contribution/2 SN - 0420-0195 SP - S. 671 PB - Deutsche Physikalische Gesellschaft CY - Bad Honnef ER - TY - CHAP A1 - Tallarida, Massimo A1 - Karavaev, Konstantin A1 - Kolanek, Krzysztof A1 - Schmeißer, Dieter T1 - Basics of the atomic layer deposition of HfO2 onto Si/SiO2 substrates: in-situ investigations with XPS, XAS and UHV-AFM T2 - Verhandlungen der Deutschen Physikalischen Gesellschaft ; Reihe 6, Bd. 44 N2 - We developed a reactor for investigating in-situ the atomic layer deposition (ALD) of HfO2. X-ray photoelectron and X-ray absorption spectra were collected after each ALD cycle using synchrotron radiation at the beamline U49-2/PGM2 - BESSY II, Berlin. The morphology of the substrate and thin film surfaces was investigated after each ALD cycle with an UHV-AFM microscopy attached to the ALD reactor. We studied the ALD on differently prepared substrates, at different substrate temperatures, and using different Hf-precursors (HfCl4, TEMAHf, TDMAHf). We observed the evolution of the Si/SiO2/HfO2 system during the formation of the first three Hf-oxide layers [1]; we detected the incorporation of Cl into the Hf-oxide films and proposed a mechanism responsible for the Cl contamination [2]; we found evidence of the interfacial-SiO2 growth during the initial ALD cycles and of dipole formation at the HfO2/SiO2 interface. In this contribution we illustrate the basics of the technique used, and discuss the physical-chemical properties of ALD on the basis of the experimental results. [1] M. Tallarida, K. Karavaev, and D. Schmeisser, J. Appl. Phys. 104, 064116 (2008); [2] M. Tallarida, K. Karavaev, and D. Schmeisser, J. Vac. Sci. Technol. B, accepted for publication. Y1 - 2009 UR - http://www.dpg-verhandlungen.de/year/2009/conference/dresden/part/ds/session/11/contribution/4 SN - 0420-0195 SP - S. 159 PB - Deutsche Physikalische Gesellschaft CY - Bad Honnef ER - TY - CHAP A1 - Tallarida, Massimo A1 - Karavaev, Konstantin A1 - Kolanek, Krzysztof A1 - Schmeißer, Dieter T1 - In-situ experimental approach to the study of atomic layer deposition with atomic force microscope, X-ray photoelectron and X-ray absorption spectroscopy T2 - Verhandlungen der Deutschen Physikalischen Gesellschaft ; Reihe 6, Bd. 44 N2 - We describe our experimental approach to the investigation of atomic layer deposition (ALD). ALD is a powerful deposition technique for growing conformal thin films of composite materials with atomically accurate thickness on large area [1]. Despite the enormous industrial interest growing around ALD, its fundamental properties were not yet properly studied. We developed an ALD reactor for the in-situ investigations using XPS, XAS and AFM as experimental techniques. We studied the chemical-physical properties of the growing thin films after each deposition cycle. Here, we illustrate the recent results concerning the ALD of HfO2 obtained using different Hf-precursors on various substrates [2]. We show how the in-situ investigations could deliver an important insight into the fundamental characteristics of ALD and how these information could be used to modify and optimize the deposition parameters. [1] M. Leskelä, M. Ritala, Thin Solid Films, 409, 138, 2002; [2] M. Tallarida, K. Karavaev, and D. Schmeisser, J. Appl. Phys. 104, 064116 (2008). Y1 - 2009 UR - http://www.dpg-verhandlungen.de/year/2009/conference/dresden/part/ds/session/26/contribution/15 SN - 0420-0195 SP - S.176 PB - Deutsche Physikalische Gesellschaft CY - Bad Honnef ER - TY - CHAP A1 - Seifarth, Olaf A1 - Walczyk, Christian A1 - Lupina, Grzegorz A1 - Zaumseil, Peter A1 - Schmeißer, Dieter A1 - Müssig, Hans-Joachim A1 - Schroeder, Thomas T1 - The electronic band diagram of thin PrO2(111) / Pr-silicate buffers on Si(111) and its relevance to dielectric properties T2 - Verhandlungen der Deutschen Physikalischen Gesellschaft, Reihe 6, Bd. 44 N2 - Thin dielectric buffers of cubic PrO2(111) on Si(111) are ideally suited to integrate Ge onto Si by moderating the lattice mismatch between the materials. The leakage current across this dielectric buffer is strongly influenced by the electronic band diagram and defects inside the band gap. Therefore, we measured the band offsets, band gaps and defect positions by means of synchrotron radiation based photoemission spectroscopy techniques (XPS and XAS) with special emphasis on the Pr-silicate interface. In a next step we compare the spectroscopic data with information from dielectric studies, based on temperature dependent leakage current studies. We observe a close relation between dielectric properties and the electronic structure. Y1 - 2009 UR - http://www.dpg-verhandlungen.de/year/2009/conference/dresden/part/df/session/6/contribution/5 SN - 0420-0195 SP - S. 136 PB - Deutsche Physikalische Gesellschaft CY - Bad Honnef ER - TY - CHAP A1 - Friedrich, Daniel A1 - Michling, Marcel A1 - Schmeißer, Dieter A1 - Koval, Yuri A1 - Müller, Paul T1 - Characterization of ion beam modified polyimide layers T2 - Verhandlungen der Deutschen Physikalischen Gesellschaft, Reihe 6, Bd. 45 N2 - Ion beam modified polyimide show high conductivity. In our investigation we focus on the electronic structure and the element composition, in order to understand the mechanism of conductivity. In our experiments we use the methods NEXAFS and PES. The measurements were done at the U49/2-PGM2 beam line of BESSY II, Berlin. We find an increase of the sp2 hybridized graphite contribution, after low Ar+ ion doses bombardment while the temperature of the samples is varied from 300 K to 650 K. In addition we follow the He+ bombardment induced changes by in-situ monitoring of the O1s, N1s content in the polyimide films. Y1 - 2010 UR - http://www.dpg-verhandlungen.de/year/2010/conference/regensburg/part/ds/session/38/contribution/10 SN - 0420-0195 SP - S. 247 PB - Deutsche Physikalische Gesellschaft CY - Bad Honnef ER - TY - CHAP A1 - Dudek, Peter A1 - Lupina, Grzegorz A1 - Kozłowski, Grzegorz A1 - Dabrowski, Jarek Marek A1 - Lippert, Gunther A1 - Müssig, Hans-Joachim A1 - Schmeißer, Dieter A1 - Schroeder, Thomas T1 - Band structure and electrical properties of MBE grown HfO2 - based alkaline earth perovskites T2 - Verhandlungen der Deutschen Physikalischen Gesellschaft, Reihe 6, Bd. 45 N2 - Ultra thin dielectric films (<20 nm) deposited on TiN electrodes are interesting for MIM capacitor application. High capacitance density and dielectric permittivity must be accompanied by extremely low leakage currents (10−8 A/cm2) at bias 0.5 V. To achieve such low leakage currents, high band gap and proper band alignment is required. Occupied electronic states can be probed with standard laboratory photoemission methods. Probing of unoccupied states is more challenging. Synchrotron based PES in combination with XAS forms a powerful method to study the band alignment. ASAM end station located at the U 49/2 PGM 2 beamline of BESSY II (Berlin) offers excellent conditions for performing such measurements. We investigated HfO2 - based alkaline earth perovskite - BaHfO3 with subsequent admixture of TiO2, resulting in formation of BaHf0.5Ti0.5O3 compound. The analysis of data indicates that band gap for HfO2 is similar to BaHfO3 and amounts 5.8 eV; for BaHf0.5Ti0.5O3 it decreases to 3.8 eV. We conclude that the addition of TiO2 to BaHfO3 increases significantly the dielectric permittivity but also impacts the band gap alignment. The conduction band offset shrinks, influencing the leakage current behavior. Y1 - 2010 UR - http://www.dpg-verhandlungen.de/year/2010/conference/regensburg/part/ds/session/24/contribution/4 SN - 0420-0195 SP - S. 232 PB - Deutsche Physikalische Gesellschaft CY - Bad Honnef ER - TY - CHAP A1 - Friedrich, Daniel A1 - Koval, Yuri A1 - Müller, Paul A1 - Schmeißer, Dieter T1 - Electronic structure of thin spin-coated polyimide layers T2 - Verhandlungen der Deutschen Physikalischen Gesellschaft, Reihe 6, Bd. 46 N2 - The conductivity of polyimide layers can be modified by several orders of magnitude by ion beam radiation. In order to understand the electronic structure of the pure polyimide before ion beam modification we focus in our preliminary experiments on spectroscopic investigations of thin as prepared polyimide films. The films were made by spin coating from a PMDA/ODA solution with subsequent vacuum annealing at 350°C. The layer thickness can be controlled by changing the concentration of PMDA/ODA in the solution realizing a thickness down to 3.5nm. For the characterization of the as prepared thin polyimide films the techniques NEXAFS, ResPES, XPS and CIS were applied at the U49/2-PGM2 beam line of Bessy II, Berlin. Our data including the valence band, core levels and absorption spectrum were compared with theoretical LCAO calculations. Based on these results we are able to attribute all spectral features to the specific atomic bonds in the molecule. Y1 - 2011 UR - http://www.dpg-verhandlungen.de/year/2011/conference/dresden/part/ds/session/63/contribution/3 SN - 0420-0195 SP - S. 311 PB - Deutsche Physikalische Gesellschaft CY - Bad Honnef ER - TY - CHAP A1 - Hoffmannbeck, David A1 - Richter, Matthias A1 - Städter, Matthias A1 - Paloumpa, Ioanna A1 - Henkel, Karsten A1 - Schmeißer, Dieter T1 - Spectroscopic and microscopic characterization of potential catalysts for the hydrogenation of CO2 T2 - Verhandlungen der Deutschen Physikalischen Gesellschaft, Reihe 6, Bd. 46 N2 - The reduction of CO2 emissions is a general demand of the society in order to avoid irreversible climate changes. We are investigating potential catalysts for the hydrogenation of CO2 in particular for its application in the so called oxyfuel combustion process. In order to understand the catalytic behavior of the investigated materials we use the techniques X-Ray Photoemission (XPS) and -absorption (XAS) Spectroscopy as well as X-Ray Diffraction (XRD) and Scanning Electron Microscopy (SEM). The prospective of our work is to figure out the electronic and structural properties of the material and to optimize proper catalysts or design new ones for best catalytic activity. Beside the spectro-microscopic investigations the catalysts are tested under Sabatier reaction conditions in terms of activity, stability and sensitivity against poisoning. In our preliminary work we constructed a Sabatier reactor system with analytical parts based on infrared absorption and mass spectroscopy modules. First spectroscopic and catalytic results achieved on a commercially available Ru/Al2O3 catalyst will be presented. Y1 - 2011 UR - http://www.dpg-verhandlungen.de/year/2011/conference/dresden/part/o/session/60/contribution/123 SN - 0420-0195 SP - S. 483 PB - Deutsche Physikalische Gesellschaft CY - Bad Honnef ER - TY - CHAP A1 - Kraatz, Matthias A1 - Zhang, Lijuan A1 - Schmeißer, Dieter A1 - Zschech, Ehrenfried A1 - Ho, Paul S. T1 - Statistical Analysis of Computer-simulated On-Chip Interconnect Electromigration Lifetimes under the Influence of Microstructure and Strengthened Top Interface T2 - Verhandlungen der Deutschen Physikalischen Gesellschaft, Reihe 6, Bd. 46 N2 - We are investigating the statistics of computer-simulated interconnect electromigration (EM) lifetimes with regard to the effects of microstructure and a strengthened top interface. The degradation process of EM once threatened the entire existence of integrated circuit industry in the 1960s and has remained a major reliability concern. Ongoing miniaturization and the introduction of new materials further complicate the task of EM-resistant chip manufacturing. We have developed a simple two-dimensional finite difference simulation that models the mass transport by electromigration along the grain boundaries and the top interface of interconnect segments that allows us to do calculations of void nucleation and growth. A parallel computer simulates hundreds of interconnects simultaneously and statistical analysis becomes feasible. A Monte Carlo grain growth algorithm (a modified Potts version) is applied to model the grain structure of the interconnect segments. We will show that the simulation can be used to compare simulation and experiment qualitatively. Four cases have been studied: interconnect segments with small/large grains and weak/strong top interface. Y1 - 2011 UR - http://www.dpg-verhandlungen.de/year/2011/conference/dresden/part/ds/session/7/contribution/2 SN - 0420-0195 SP - S. 292 PB - Deutsche Physikalische Gesellschaft CY - Bad Honnef ER - TY - CHAP A1 - Mbua, Roy A1 - Müller, Klaus A1 - Richter, Matthias A1 - Henkel, Karsten A1 - Paloumpa, Ioanna A1 - Schmeißer, Dieter A1 - Kramm, Ulricke T1 - Investigation of new Catalysts for PEM Fuel Cells T2 - Verhandlungen der Deutschen Physikalischen Gesellschaft, Reihe 6, Bd. 46 N2 - Increasing green house emissions amplify global warming concerns worldwide. Fuel cells, based on polymer electrolyte membranes (PEM) are part of the solution to this issue. We aim at developing and testing new catalysts for fuel cells. Platinum catalysts perform best in PEM fuel cells to date but they are very expensive. For fuel cells to be perfectly applicable and economically affordable, an alternative catalyst with similar or even greater efficiency should be developed. Metal phthalocyanines are known to be good oxygen reduction catalysts and are associated with high electron transfer properties. We investigated Cobalt Phthalocyanine in its pure state mixed with Carbon Black (CoPc:Carbon Black=1:9) untreated and also after a treatment in N2 at several temperatures, up to 1000°C for 30 minutes. Results of XPS and EDX analyses reveal that the treatment at higher temperatures causes a rearrangement in the chemical states of Co, N and C atoms. Furthermore, results of cycling voltammetry (CV) analysis reveal that CoPc treated in N2 at 800°C exhibited a higher current density, in conclusion, a higher catalytic activity than the untreated CoPc. Y1 - 2011 UR - http://www.dpg-verhandlungen.de/year/2011/conference/dresden/part/o/session/60/contribution/119 SN - 0420-0195 SP - S. 483 PB - Deutsche Physikalische Gesellschaft CY - Bad Honnef ER - TY - CHAP A1 - Michling, Marcel A1 - Kolanek, Krzysztof A1 - Schmeißer, Dieter A1 - Tallarida, Massimo T1 - A growth model for the HfO2 ALD process T2 - Verhandlungen der Deutschen Physikalischen Gesellschaft, Reihe 6, Bd. 46 N2 - In this contribution we report on our in-situ2 cycle-by-cycle (up to the 25 cycles) investigation of the HfO2 atomic layer deposition (ALD) process using the method of x-ray photoelectron spectroscopy (XPS) and electron energy loss spectroscopy (EELS). We used Tetrakis-Dimethyl-Amino-Hafnium (TDMA-Hf) and H2O as precursors and p-type Si wafer with native oxide as a substrate. The XPS measurements were carried out at BESSY II in Berlin with primary energies of 150 eV and 640 eV and the EELS measurements were done with a primary energy of 50 eV. We measured the O1s, Si2p core level and the valence band including the Hf 4f core level. From the Hf4f to Si2p ratios taken at each energy we developed a growth model for the first monolayer and for the following layers too. From our data we conclude, that in the first monolayer up to the fourth ALD cycle an island growth occurs. The height of these islands is about 0,5nm. After the first monolayer is completed, a layer- by-layer growth can be expected. In order to proof this observation we have simulated the Hf/Si ratio for different excitation energies and found a very good agreement with our measurement data. The EELS data especially the evaluation of the loss function onset confirm our growth model. Y1 - 2011 UR - http://www.dpg-verhandlungen.de/year/2011/conference/dresden/part/ds/session/12/contribution/1 SN - 0420-0195 SP - S. 294 PB - Deutsche Physikalische Gesellschaft CY - Bad Honnef ER - TY - CHAP A1 - Philip, Shine A1 - Martinez, Elias A1 - Müller, Klaus A1 - Kunst, Marinus A1 - Schmeißer, Dieter T1 - Time resolved microwave conductivity measurements of Bulk Heterojunction solar cells T2 - Verhandlungen der Deutschen Physikalischen Gesellschaft, Reihe 6, Bd. 46 N2 - The time resolved microwave conductivity (TRMC) method was used in order to study the generation and decay kinetics of charge carriers in the Bulk Heterojunction (BHJ) solar cells. The charge carriers were generated with 532nm laser pulses of 10ns FWHM (Full Width at Half Maximum) induced in the cells. The BHJ solar cells used for the measurements had a photoactive layer consisting of a mixture of Poly (3-Hexylthiophene) P3HT and Phenyl-C61-butyric acid methyl ester (PCBM) which was spin coated onto Indium tin oxide (ITO)/glass substrates. In the field of Organic photovoltaic blends, TRMC method is introduced as a new method of direct investigation of the charge carrier lifetime as well as the charge carrier mobility and we were successful in studying the charge carrier lifetime of the reference BHJ solar cells. We also studied the influence of aligned ferroelectric fields on the charge separation in BHJ solar cells. As ferroelectric material, we used the copolymer Poly (vinylidene fluoride - trifluoroethylene) P(VDF-TrFE). Y1 - 2011 UR - http://www.dpg-verhandlungen.de/year/2011/conference/dresden/part/ds/session/42/contribution/31 SN - 0420-0195 SP - S. 301 PB - Deutsche Physikalische Gesellschaft CY - Bad Honnef ER - TY - CHAP A1 - Richter, Matthias A1 - Schmeißer, Dieter T1 - Electronic structure and optical properties of P3HT - Evidence of 2D-polarons in P3HT T2 - Verhandlungen der Deutschen Physikalischen Gesellschaft, Reihe 6, Bd. 46 N2 - In this contribution we report on investigations of the electronic structure and optical characteristics of poly(3-hexylthiophene) (P3HT) based films. Various techniques like NEXAFS, SRXPS, UPS, UV-VIS and FTIR were used. X-Ray based measurements were done at the U49/2-PGM2 beam line at BESSYII. The samples were produced by spin casting P3HT dissolved in chloroform and other suitable solvents on ITO (indium tin oxide) coated glass slides and silicon substrates. Regioregular-P3HT is known to form thin films with nanocrystalline lamellae. This 2D structure give rise to additional electronic excitations in photoinduced absorption measurements, which are attributed to 2D-polarons [1]. In the Total Electron Yield (surface sensitive) and Total Fluorescence Yield (bulk sensitive) NEXAFS spectra of regioregular-P3HT three additional features can be found prior to the first typical π* excitation. The nature of these features was further investigated by means of SRXPS and UPS measurements. Energy differences relative to π*-peak maximum (0.54eV, 0.87eV and 2.24eV) suggest that these features are due to 2D-polarons. This presence of polarons is further confirmed by our FTIR and UV-VIS results. [1] Osterbacka et al., Synth. Met. 116 (2001) 317 Y1 - 2011 UR - http://www.dpg-verhandlungen.de/year/2011/conference/dresden/part/ds/session/64/contribution/3 SN - 0420-0195 SP - S. 311 PB - Deutsche Physikalische Gesellschaft CY - Bad Honnef ER - TY - CHAP A1 - Schmidt, Stefan A1 - Schmeißer, Dieter T1 - Localized gap states in cobalt/nickel mixed oxides T2 - Verhandlungen der Deutschen Physikalischen Gesellschaft, Reihe 6, Bd. 46 N2 - Replacing Co by large amounts of Ni is considered to reduce costs in Li-Ion-Batteries while maintaining their performance. We investigate the electronic structure of Co/Ni compounds because of their direct impact on battery operation. Thin Co/Ni oxide films on metal substrates were prepared by dropping/spin-coating from nitrate solutions followed by subsequent annealing in air and UHV. The following Co to Ni ratios have been investigated: 50/50, 40/60, 30/70, and 20/80. The results are compared with the pure Co-oxide and magnetron sputtered LiCoO2 reference samples. Spectroscopic measurements on these samples were carried out at the U49/2 beamline at BESSYII, Berlin. XPS of the transition metal (TM) 2p states reveals the existence of charge transfer ground states and different oxidation states. NEXAFS at the Co L3, Ni L3 and O K edges reflects the density of unoccupied states while resonant PES at these edges provides the related partial density of states (pDOS). Therefore, these techniques can be used in order to distinguish between the different contributions of TM3d and O2p states in the valence band region. We find sharp localized features at the valence band edge and at the O K and Co L3 absorption edges that are discussed to originate from the strong hybridization between metal and oxygen states in that region. Y1 - 2011 UR - http://www.dpg-verhandlungen.de/year/2011/conference/dresden/part/o/session/69/contribution/2 SN - 0420-0195 SP - S. 486 PB - Deutsche Physikalische Gesellschaft CY - Bad Honnef ER - TY - CHAP A1 - Tallarida, Massimo A1 - Deßmann, Nils A1 - Städter, Matthias A1 - Friedrich, Daniel A1 - Michling, Marcel A1 - Schmeißer, Dieter T1 - Atomic layer deposition of TiO T2 - Verhandlungen der Deutschen Physikalischen Gesellschaft, Reihe 6, Bd. 46 N2 - We present a study of the initial growth of TiO2 on Si(111) by atomic layer deposition (ALD). The Si substrate was etched with NH4F before ALD to remove the native oxide film and to produce a Si-H termination. In−situ experiments by means of photoemission and X-ray absorption spectroscopy were conducted with synchrotron radiation on Ti-oxide films produced using Ti-tetra-iso-propoxide (TTIP) and water as precursors. O1s, Ti2p, C1s, and Si2p core level, and O1s and Ti2p absorption edges show the transition of the Ti-oxide properties during the first layers. The growth starts with a very small growth rate (0.03nm/cycle) due to the growth inhibition of the Si-H termination and proceeds with higher growth rate (0.1nm/cycle) after 1.5nm Ti-oxide has been deposited. Y1 - 2011 UR - http://www.dpg-verhandlungen.de/year/2011/conference/dresden/part/ds/session/12/contribution/2 SN - 0420-0195 PB - Deutsche Physikalische Gesellschaft CY - Bad Honnef ER - TY - CHAP A1 - Das, Chittaranjan A1 - Städter, Matthias A1 - Tallarida, Massimo A1 - Schmeißer, Dieter T1 - Investigation of Linear Dichroism in ALD layers of TiO2 T2 - Verhandlungen der Deutschen Physikalischen Gesellschaft, Reihe 6, Bd. 47 N2 - Titanium dioxide is on the most studied material due to its wide range of applications in various fields such as self cleaning, photocatalysis, solar cell, water splitting, bio-implants, etc. In order to increase its efficiency in water splitting and solar cell, it is necessary to understand the crystal structure and electronic properties in thin films. In our approach we are investigating the X-ray linear dichroism (XLD) of thin layers of TiO2. XLD studies have been done in multiferroics, antiferromagnetic, and ferromagnetic materials, but a very less amount of work have been done in studying XLD effect of TiO2 thin films. These layers are grown by in-situ atomic layer deposition (ALD) system and are investigated with X-ray absorption spectroscopy (XAS) at BESSY II, Berlin. ALD is a promising technique to grow thin films on different substrates conveniently due to its uniform deposition property. XAS study will also help us to better understand the interfacial electronic properties of thin films of TiO2. Y1 - 2012 UR - http://www.dpg-verhandlungen.de/year/2012/conference/berlin/part/ds/session/44/contribution/59 SN - 0420-0195 PB - Deutsche Physikalische Gesellschaft CY - Bad Honnef ER - TY - CHAP A1 - Müller, Klaus A1 - Hoffmannbeck, David A1 - Kirner, Georg A1 - Städter, Matthias A1 - Schmeißer, Dieter T1 - CO2-Methanation by Catalytic Conversion T2 - Verhandlungen der Deutschen Physikalischen Gesellschaft N2 - The utilization of CO2 as raw material is an important component of a program for CO2 reduction. A possibility is the production of methane. At a moderate temperature of around 350°C, hydrogenation of CO2 to methane is possible by the Sabatier reaction CO2 + 4H2 ->CH4 +2H2O. Prerequisite for an efficient kinetics of the Sabatier reaction is the application and optimization of catalysts. In this contribution, we present investigations of Ru and Ni catalysts on different substrates. For Ru/Al2O3 catalysts, we found stable operation without degradation within 500 hours with a conversion rate of 80% at 350°C. For NiO/SiO2 catalysts, a conversion rate of 90% was found for temperatures of 350-405°C. We also show the investigation of cross sensitivities against SOx and NOx, which are typical contaminations of CO2, generated by the industrial oxyfuel process. In our work the morphology (REM, AFM, specific surface), chemical composition (FTIR, XPS) and phase composition (XRD) of the catalysts are characterized. In addition, we report on thermodesorption (TDS) measurements at atmospheric pressure to determine the amount of adsorbed CO2 under real conditions. The project is funded by the German Ministry of Research and Education (BMBF-GeoEn). Y1 - 2012 UR - http://www.dpg-verhandlungen.de/year/2012/conference/berlin/part/ds/session/37/contribution/45 SN - 0420-0195 PB - Deutsche Physikalische Gesellschaft CY - Bad Honnef ER - TY - CHAP A1 - Philip, Shine A1 - Müller, Klaus A1 - Richter, Matthias A1 - Kunst, Marinus A1 - Schmeißer, Dieter T1 - Study of excited states and a model for exciton-polaron interaction in P3HT T2 - Verhandlungen der Deutschen Physikalischen Gesellschaft, Reihe 6, Bd. 47 N2 - Organic semiconductors efficiently harvest light in the region of the solar spectrum due to a high absorption/extinction coefficient.In our work we study the electronic structure and the charge carrier dynamics of polymeric organic semiconductor regioregular poly(3-hexylthiophen-2,5-diyl) (P3HT), an ideal p-type semiconductor and a widely used conjugated polymer, and blends with the fullerene derivative phenyl-C61-butyric acid methyl ester (PCBM), an electron acceptor material. The study was done with the help of time resolved microwave conductivity (TRMC) for contactless investigation of bulk carrier dynamics, optical spectroscopy, ultraviolet photoelectron spectroscopy(UPS) and high resolution X-ray absorption spectroscopy(XAS) which investigates excited states of rr-P3HT. From the data obtained we could infer the positions of the valence and conduction band, the existence of two excitons as well as the co-existence of one dimensional and two dimensional polarons. Based on our spectroscopic data we propose a model in which the scattering of virtual polarons and excitons are shown to create mobile polaronic charge carriers. Y1 - 2012 UR - http://www.dpg-verhandlungen.de/year/2012/conference/berlin/part/ds/session/44/contribution/31 SN - 0420-0195 PB - Deutsche Physikalische Gesellschaft CY - Bad Honnef ER - TY - CHAP A1 - Richter, Matthias A1 - Friedrich, Daniel A1 - Schmeißer, Dieter T1 - 3h-Auger decay in the π-band of HOPG T2 - Verhandlungen der Deutschen Physikalischen Gesellschaft, Reihe 6, Bd. 47 N2 - In this contribution we report on the electronic structure of highly oriented pyrolitic graphite (HOPG). HOPG is a model system because of the clear separation between π- and σ-bands in the valence band regime. X-ray based measurements were done at the U49/2-PGM2 beam line at BESSYII in Berlin. The resonant photoemission spectra (resPES) at the carbon K-edge give a complete picture of the occupied and unoccupied states in these sp2 hybridized system. Above the K-edge the resPES data are dominated by the Auger process causing a C2p4 final state. The Auger lines appear at constant kinetic energy (spectator, 2h) or constant binding energy (participator, 1h). For the features right at the resonance we observe a different Auger decay mechanism. We attribute it to the decay out of an excitonic intermediate state with a long lifetime. It involves three valence hole states. The original primary core hole is filled by a normal KLL Auger decay. The excited electron rests in the excitonic intermediate state and decays later. We discuss the spectral features of such combined spectator-participator decays in detail which are found only close to resonance and only in the localized valence states of excitonic excitation i.e.C1s - 1π* transitions [1, 2, 3]. [1] Richter et al. (2011) BioNanoScience, submitted. [2] Michling et al. (2011) IOP C Ser Mater Sci Eng, submitted. [3] Schmidt et al. (2011) Solid State Ionics, submitted. Y1 - 2012 UR - http://www.dpg-verhandlungen.de/year/2012/conference/berlin/part/ds/session/35/contribution/4 SN - 0420-0195 PB - Deutsche Physikalische Gesellschaft CY - Bad Honnef ER - TY - CHAP A1 - Städter, Matthias A1 - Schmeißer, Dieter T1 - AP-TDS characterization of CO2 methanation catalysts T2 - Verhandlungen der Deutschen Physikalischen Gesellschaft, Reihe 6, Bd. 47 N2 - Development of new catalysts and their characterization by TDS (thermal desorption spectroscopy) is used in a wide field of applications. In our group we focus on catalysts usable to convert CO2 towards methane by the Sabatier reaction (CO2 + 4H2 → CH4 + 2H2O at 375∘C). For measuring large numbers of samples we designed an AP-TDS (ambient pressure TDS) chamber where various desorption experiments can be performed without bringing the catalyst into vacuum. The well-defined reaction chamber, in terms of temperature, pressure and gas composition (Ar atmosphere), is separated by a pin hole (∅ = 6 µ m) from an external UHV chamber. Evolving species and their composition are monitored by a mass spectrometer attached to the UHV chamber. Our first measurement results on commercially available NiO/SiO2 and Ru/Al2O3 based catalysts, with focus on the identification and enumeration of different adsorption sites for CO2, will be presented. CO2 saturated samples were heated from RT to 1100∘C (heating rate β = 0.3 K/s) while measuring the evolution of the CO2 content. Our measurements show large numbers of different adsorption sites for NiO (200-750∘C) whereas Ru shows only few different sites around 440∘C. For both catalysts, most of the formerly adsorbed CO2 remains at the surface (at 375∘C) available for methanation. Y1 - 2012 UR - http://www.dpg-verhandlungen.de/year/2012/conference/berlin/part/va/session/2/contribution/2 SN - 0420-0195 PB - Deutsche Physikalische Gesellschaft CY - Bad Honnef ER - TY - CHAP A1 - Tallarida, Massimo A1 - Michling, Marcel A1 - Das, Chittaranjan A1 - Friedrich, Daniel A1 - Städter, Matthias A1 - Schmeißer, Dieter T1 - Role of substrate chemistry in ALD revealed by in-situ techniques T2 - Verhandlungen der Deutschen Physikalischen Gesellschaft, Reihe 6, Bd. 47 N2 - We show recent results of our in-situ investigations where the role of substrate chemistry in ALD is outlined. While the usual strategy to develop new properties of ALD films is to find new precursors or new procedures, the influence of substrate chemistry on the growth properties of ALD films has been often underestimated. This has principally a technical reason, as the usual characterization methods (QMS, FTIR, ellipsometry) are only weakly sensitive to the substrate, and a characterization of substrates before ALD is often not possible. Thanks to the use of in-situ characterization methods, including photoemission and X-ray absorption spectroscopy with synchrotron radiation, we are able to determine chemical properties of substrates before ALD and after either half or complete ALD cycles. The substrate chemistry influences the standard Al2O3 ALD with TMA and water [1,2], as well as the TiO2 ALD with TTIP and either water, O2 or O2-plasma. [1] M. Tallarida, K. Kukli, M. Michling, M. Ritala, M. Leskelä and D. Schmeisser, Chem. Mater. 23, 3159 (2011); [2] M. Tallarida, C. Adelmann, A. Delabie, S. van Elshocht, M. Caymax, and D. Schmeisser, Appl. Phys. Lett. 92, 042906 (2011). Y1 - 2012 UR - http://www.dpg-verhandlungen.de/year/2012/conference/berlin/part/ds/session/22/contribution/3 SN - 0420-0195 PB - Deutsche Physikalische Gesellschaft CY - Bad Honnef ER - TY - CHAP A1 - Fischer, Christian B. A1 - Rohrbeck, Magdalena A1 - Wehner, Stefan A1 - Richter, Matthias A1 - Schmeißer, Dieter T1 - Diamond-Like Carbon Coatings on Selected Plastic Materials T2 - Verhandlungen der Deutschen Physikalischen Gesellschaft, Reihe 6, Bd. 47 N2 - The manufacturing of synthetic materials and their wide range of use for daily life is accompanied by essential requirements. Besides the basic performance of materials such as flexibility, elasticity, fracture strength and chemical resistance, further determinants are long term stability or biocompatibility. To overcome mismatches in surface characteristics of optimal parent material they can be customized for their intended use resulting in suitable coatings for profitable applications. The determining factor for such modifications is the preservation of basic material performance in addition to the benefit of further advantages like changed adhesive, improved repellent or antibacterial behavior. Protective coatings of selected plastic materials have been realized by depositing a few layers of diamond-like carbon (DLC). The assembly of soft plastic material and robust DLC coating is important for the resulting material characteristics. The detailed understanding of materials interphasing between these unequal materials and the conjunction of carbon centers in chemically different neighborhood is part of the presented work. Results will be transferable to other plastic materials with diverse needs, e.g. energy storage devices, water treatments and coatings for everyday commodities or industrial parts. Y1 - 2012 UR - http://www.dpg-verhandlungen.de/year/2012/conference/berlin/part/o/session/66/contribution/9 SN - 0420-0195 PB - Deutsche Physikalische Gesellschaft CY - Bad Honnef ER - TY - CHAP A1 - Rohrbeck, Magdalena A1 - Fischer, Christian B. A1 - Wehner, Stefan A1 - Richter, Matthias A1 - Schmeißer, Dieter T1 - Diamond-Like Carbon Coatings on Industrial Polyethylene Surfaces T2 - Verhandlungen der Deutschen Physikalischen Gesellschaft, Reihe 6, Bd. 47 N2 - Synthetic materials are used in a wide variety of fields. Depending on the intended application the plastic material must meet specific requirements. Since the material always interacts with its environment, particular attention is required regarding the surface. Possible damage of the plastic material and further risks could be caused by the adhesion of bacteria, biofilm formation and encrustations. Therefore, bacteria-repellent coatings and surface-modified materials that allow for an effective removal of adhered bacteria are of extremely high interest for many applications. In this study Polyethylene (PE) is chosen as simplest model for relevant plastic materials. Surface modification of PE samples is accomplished by plasma-deposited diamond-like carbon (DLC) coatings to achieve increased abrasion strength and bacterial resistance. Two types of nanometer-scaled DLC films with different layer thicknesses are compared by multiscale microscopic analysis. Further spectroscopic measurements with synchrotron radiation are performed. These results will provide an enhanced understanding of layer formation at the interface between the basic plastic material and the DLC coating and will possibly lead to optimal parameters for the surface coating to achieve improved product characteristics. Y1 - 2012 UR - http://www.dpg-verhandlungen.de/year/2012/conference/berlin/part/o/session/35/contribution/28 SN - 0420-0195 PB - Deutsche Physikalische Gesellschaft CY - Bad Honnef ER - TY - GEN A1 - Das, Chittaranjan A1 - Tallarida, Massimo A1 - Schmeißer, Dieter T1 - Si microstructures laminated with a nanolayer of TiO2 as long-term stable and effective photocathodes in PEC devices T2 - Nanoscale N2 - Photoelectrochemical (PEC) water splitting is one of the most emerging fields for green energy generation and storage. Here we show a study of microstructured Si covered by a TiO2 nano-layer. The microstructures are prepared by galvanostatic selective etching of Si. The TiO2 nano-layer was deposited by atomic layer deposition (ALD) to protect the microstructured photocathode against corrosion. The obtained microstructured photocathode showed a shift in the onset potential of 400 mV towards the anodic direction compared to bare Si. The Si microstructures laminated with a nano-layer of TiO2 show stability over 60 hours of measurement. KW - water splitting KW - photocorrosion KW - protection layer KW - photoelectrochemical device (PEC device) KW - atomic layer deposition (ALD) KW - silicon (Si) KW - titanum oxide (TiO2) KW - microstructure Y1 - 2015 U6 - https://doi.org/10.1039/C5NR00764J SN - 2040-3364 SN - 2040-3372 IS - 7 SP - 7726 EP - 7733 ER - TY - CHAP A1 - Henkel, Karsten A1 - Das, Chittaranjan A1 - Sowinska, Małgorzata A1 - Tallarida, Massimo A1 - Schmeißer, Dieter A1 - Gargouri, Hassan A1 - Kärkkänen, Irina A1 - Schneidewind, Jessica A1 - Gruska, Bernd A1 - Arens, Michael ED - Glück, B. K. ED - Schmidt, S. ED - Stein, E. ED - Raschke, Jörg-Uwe ED - Richter, H. T1 - Charakterisierung von TiO2-ALD-Schichten und deren Nutzung für die Passivierung von Si-Photokathoden T2 - Tagungsband Photovoltaik-Meeting: Anwendungen-Qualität-Perspektiven, Senftenberg, 15.04.2015 N2 - Wir berichten zunächst über den Einfluss der Methode der Atomlagenabscheidung auf die TiO2-Schichteigenschaften. Insbesondere wird der Zusammenhang zwischen Ti3+- sowie Interbandzuständen mit elektrischen Kennlinien und deren Einfluss auf funktionale Schichteigenschaften diskutiert. Anschließend werden Mikrostrukturierung, Grenzflächen-Engineering und konforme Abscheidung einer TiO2-ALD-Schutzschicht effektiv zur Performance-Steigerung von p-Si-Photokathoden angewendet. KW - TiO2 KW - Korrosion KW - Atomlagenabscheidung KW - Silizium KW - Photokathoden KW - Linear Scan Voltametry KW - Photoelektronenspektroskopie Y1 - 2015 SP - 3 EP - 8 PB - BTU Cottbus-Senftenberg CY - Senftenberg ER - TY - GEN A1 - Nourbakhsh, Amirhasan A1 - Adelmann, Christoph A1 - Song, Yi A1 - Lee, Chang Seung A1 - Asselberghs, Inge A1 - Huyghebaert, Cedric A1 - Brizzi, Simone A1 - Tallarida, Massimo A1 - Schmeißer, Dieter A1 - Elshocht, Sven van A1 - Heyns, Marc A1 - Kong, Jing A1 - Palacios, Tomás A1 - De Gendt, Stefan T1 - Graphene oxide monolayers as atomically thin seeding layers for atomic layer deposition of metal oxides T2 - Nanoscale N2 - Graphene oxide (GO) was explored as an atomically-thin transferable seed layer for the atomic layer deposition (ALD) of dielectric materials on any substrate of choice. This approach does not require specific chemical groups on the target surface to initiate ALD. This establishes GO as a unique interface which enables the growth of dielectric materials on a wide range of substrate materials and opens up numerous prospects for applications. In this work, a mild oxygen plasma treatment was used to oxidize graphene monolayers with well-controlled and tunable density of epoxide functional groups. This was confirmed by synchrotron-radiation photoelectron spectroscopy. In addition, density functional theory calculations were carried out on representative epoxidized graphene monolayer models to correlate the capacitive properties of GO with its electronic structure. Capacitance–voltage measurements showed that the capacitive behavior of Al2O3/GO depends on the oxidation level of GO. Finally, GO was successfully used as an ALD seed layer for the deposition of Al2O3 on chemically inert single layer graphene, resulting in high performance top-gated field-effect transistors. KW - Graphene Oxide KW - seed layer KW - atomic layer deposition KW - oxygen plasma treatment KW - photoelectron spectroscopy KW - density functional theory KW - capacitance-voltage Y1 - 2015 U6 - https://doi.org/10.1039/C5NR01128K SN - 2040-3364 SN - 2040-3372 VL - 2015 IS - 7 SP - 10781 EP - 10789 ER - TY - GEN A1 - Tamang, Abiral A1 - Ghosh, Sujoy Kumar A1 - Garain, Samiran A1 - Alam, Md. Mehebub A1 - Haeberle, Jörg A1 - Henkel, Karsten A1 - Schmeißer, Dieter A1 - Mandal, Dipankar T1 - DNA-Assisted β‑phase Nucleation and Alignment of Molecular Dipoles in PVDF Film: A Realization of Self-Poled Bioinspired Flexible Polymer Nanogenerator for Portable Electronic Devices T2 - ACS Applied Materials & Interfaces N2 - A flexible nanogenerator (NG) is fabricated with a poly(vinylidene fluoride) (PVDF)film, where deoxyribonu-cleic acid (DNA) is the agent for the electroactive β-phase nucleation. Denatured DNA is co-operating to align the molecular−CH2/−CF2 dipoles of PVDF causing piezo- electricity without electrical poling. The NG is capable of harvesting energy from a variety of easily accessible mechanical stress such as human touch, machine vibration, football juggling, and walking. The NG exhibits high piezoelectric energy conversion efficiency facilitating the instant turn-on of several green or blue light-emitting diodes. The generated energy can be used to charge capacitors providing a wide scope for the design of self-powered portable devices. KW - PVDF KW - β-phase KW - DNA KW - self-poling KW - piezoelectric flexible nanogenerator Y1 - 2015 U6 - https://doi.org/10.1021/acsami.5b04161 SN - 1944-8244 SN - 1944-8252 IS - 7 SP - 16143 EP - 16147 ER - TY - GEN A1 - Schmeißer, Dieter A1 - Haeberle, Jörg A1 - Richter, Matthias A1 - Brazda, Petr T1 - Spin State and Satellite Structures of ε-Fe₂O₃ as determined by Resonant Photoelectron Spectroscopy T2 - Nuclear Instruments and Methods in Physics Research B N2 - We use resonant photoelectron spectroscopy at the Fe2p and the O1s absorption edges to report on spectroscopic investigation of Fe-oxides nanoparticles. We discuss the spectroscopic details like multiple Auger decays, satellite emission in the X-ray absorption process and the core level data. We explain these data by a novel mechanism in which the resonant excitation between Fe3d and Fe4s states are involved. This mechanism is observed when the photo-excited electron becomes polarized by the electron–hole pairs existing in the conduction and valence bands. KW - Resonant photoelectron spectroscopy KW - ε-Fe2O3nano particles KW - Satellite emission Y1 - 2015 U6 - https://doi.org/10.1016/j.nimb.2015.08.062 SN - 0168-583X VL - 2015 IS - 364 SP - 127 EP - 131 ER - TY - GEN A1 - Alberton Corrêa, Silma A1 - Brizzi, Simone A1 - Schmeißer, Dieter T1 - Spectroscopic investigation of the electronic structure of thin atomic layer deposition HfO2 films T2 - Journal of Vacuum Science & Technology A N2 - The electronic structure of HfO2 thin films is investigated employing resonant photoelectron spectroscopy (resPES). The detailed analysis of the O1s resonance profile enables the determination of the partial density of states for the valence and the conduction bands as well as the electronic band gap to be 6.2 eV. The position of the charge neutrality level is evaluated. Thereby, it is demonstrated that the resPES data are able to combine information both for the valence as well as for the conduction band states. In addition, evidences for intrinsic in-gap states attributed to polaronic and charge transfer states are given. Electronic charges within the atomic layer deposition-HfO2films are identified, pointing out that the amount of charges is essential to determine the accurate position of the surface potentials. KW - resonant photoelectron spectroscopy KW - hafnium oxide KW - atomic layer deposition KW - partial density of states KW - electronic band gap Y1 - 2016 U6 - https://doi.org/10.1116/1.4935338 SN - 0734-2101 SN - 1520-8559 VL - 34 IS - 1 SP - 01A117-1 EP - 01A117-8 ER - TY - GEN A1 - Sowińska, Małgorzata A1 - Henkel, Karsten A1 - Schmeißer, Dieter A1 - Kärkkänen, Irina A1 - Schneidewind, Jessica A1 - Naumann, Franziska A1 - Gruska, Bernd A1 - Gargouri, Hassan T1 - Plasma-enhanced atomic layer deposition of titanium oxynitrides films: A comparative spectroscopic and electrical study T2 - Journal of Vacuum Science and Technology A N2 - The process parameters’ impact of the plasma-enhanced atomic layer deposition (PE-ALD) method on the oxygen to nitrogen (O/N) ratio in titanium oxynitride (TiOxNy) films was studied. Titanium(IV)isopropoxide in combination with NH3 plasma and tetrakis(dimethylamino) titanium by applying N2 plasma processes were investigated. Samples were characterized by the in situ spectroscopic ellipsometry, x-ray photoelectron spectroscopy, and electrical characterization (current–voltage: I-V and capacitance–voltage: C-V) methods. The O/N ratio in the TiOxNy films is found to be very sensitive for their electric properties such as conductivity, dielectric breakdown, and permittivity. Our results indicate that these PE-ALD film properties can be tuned, via the O/N ratio, by the selection of the process parameters and precursor/coreactant combination. KW - plasma enhanced atomic layer deposition KW - titanium oxynitride KW - X-ray photoelectron spectroscopy KW - ellipsometry KW - current-voltage KW - capacitance-voltage Y1 - 2016 U6 - https://doi.org/10.1116/1.4936227 SN - 0734-2101 SN - 1520-8559 IS - 34 SP - 01A127-1 EP - 01A127-9 ER - TY - GEN A1 - Pitthan, E. A1 - dos Reis, R. A1 - Alberton Corrêa, Silma A1 - Schmeißer, Dieter A1 - Boudinov, H. I. A1 - Stedile, F. C. T1 - Influence of CO annealing in metal-oxide-semiconductor capacitors with SiO2 films thermally grown on Si and on SiC T2 - Journal of Applied Physics N2 - Understanding the influence of SiC reaction with CO, a by-product of SiC thermal oxidation, is a key point to elucidate the origin of electrical defects in SiC metal-oxide-semiconductor (MOS) devices. In this work, the effects on electrical, structural, and chemical properties of SiO2/Si and SiO2/SiC structures submitted to CO annealing were investigated. It was observed that long annealing times resulted in the incorporation of carbon from CO in the Si substrate, followed by deterioration of the SiO2/Si interface, and its crystallization as SiC. Besides, this incorporated carbon remained in the Si surface (previous SiO2/Si region) after removal of the silicon dioxide film by HF etching. In the SiC case, an even more defective surface region was observed due to the CO interaction. All MOS capacitors formed using both semiconductor materials presented higher leakage current and generation of positive effective charge after CO annealings. Such results suggest that the negative fixed charge, typically observed in SiO2/SiC structures, is not originated from the interaction of the CO by-product, formed during SiC oxidation, with the SiO2/SiC interfacial region. KW - metal-oxide-semiconductor KW - silicon KW - silicon carbide KW - CO annealing Y1 - 2016 U6 - https://doi.org/10.1063/1.4939836 SN - 0021-8979 SN - 1089-7550 IS - 119 SP - 025307-1 EP - 025307-6 ER - TY - GEN A1 - Schmeißer, Dieter A1 - Haeberle, Jörg T1 - Intrinsic localized gap states in IGZO and its parent single crystalline TCOs T2 - Thin Solid Films N2 - We report on the X-ray absorption data for Indium–Gallium–Zink–Oxide thin films, amorphous ZnO films, amorphous SnOx films, and single crystalline In2O3, Ga2O3, ZnO, and SnO2 data. These absorption data probe the empty conduction band states explicitly. Also they allow for an elemental assignment using resonant excitation to derive the contributions of each metal ion. We find that the lowest states appear right at the Fermi energy and result from configuration interaction induced charge transfer states which we consider as intrinsic gap states. KW - Transparent conducting oxide KW - X-ray photoelectron spectroscopy KW - Resonant photoemission spectroscopy KW - X-ray absorption spectroscopy KW - Electronic band structure KW - Intrinsic localized gap states Y1 - 2016 U6 - https://doi.org/10.1016/j.tsf.2016.02.010 SN - 0040-6090 SN - 1879-2731 IS - 603 SP - 206 EP - 211 ER - TY - CHAP A1 - Alberton Corrêa, Silma A1 - Brizzi, Simone A1 - Tallarida, Massimo A1 - Schmeißer, Dieter T1 - Charging effect in HfO2 films deposited on SiO2/Si by atomic layer deposition T2 - Verhandlungen der Deutschen Physikalischen Gesellschaft N2 - Thin films of hafnium oxide (HfO2) deposited by atomic layer deposition (ALD) have been studied extensively as a high-k replacement for the SiO2 gate in field effect transistors. The use of ALD process allows one to grow homogeneous thin films at low temperatures with a precise control of thickness [1]. Some important electrical considerations for the application of a high-k dielectric include the presence of fixed charge (Qf) and charge trapping in the dielectric. For instance, in the case of Al2O3 thin films deposited on Si, the thickness of the interfacial SiO2 layer was identified as a key fundamental parameter determining Qf [2]. A similar trend can be also expected in HfO2/Si structures. Therefore, in this work, we proposed an in situ evaluation of photon induced charge trapping in HfO2 films deposited on SiO2/Si structures. For that, tetrakis-di-methyl-amino-hafnium (TDMAHf) and H2O were employed as precursors to deposit HfO2 films on SiO2/Si samples with variable thickness of the SiO2 interlayer. Measurements were performed by Synchrotron Radiation Photoemission Spectroscopy (SR-PES). Results indicated that the charging process is dependent on the thickness of the SiO2 interlayer and on the quality of the HfO2 film. [1] M. Leskelä and M. Ritala, Thin Solid Films 409, 138 (2002). [2] G. Dingemans et al., J. Appl. Phys. 110, 093715 (2011). KW - Charging KW - HfO2 KW - atomic layer deposition (ALD) Y1 - 2014 UR - http://www.dpg-verhandlungen.de/year/2014/conference/dresden/part/ds/session/49/contribution/10?lang=en SN - 0420-0195 PB - Deutsche Physikalische Gesellschaft CY - Bad Honnef ER - TY - CHAP A1 - Brizzi, Simone A1 - Tallarida, Massimo A1 - Adelmann, Christoph A1 - Ragnarsson, Lars-Åke A1 - Elshocht, Sven van A1 - Schmeißer, Dieter T1 - Structural changes in HfO2 thin films: thickness and doping dependence T2 - Verhandlungen der Deutschen Physikalischen Gesellschaft N2 - In this work we show results regarding MOCVD and ALD HfO2 as well as Al-doped HfO2. We use Synchrotron Radiation Photoemission Spectroscopy (SRPES) to determine Hf/O atomic ratios and X-ray Absorption Spectroscopy (XAS) to investigate the electronic properties related to their crystallization. MOCVD films are synthesized at temperatures ranging from ambient to 400∘C and show structures from completely amorphous to monoclinic. ALD films are amorphous as deposited, and can crystallize after post-deposition anneal depending on the percentage of Al-doping. We discuss PES results in order to determine how close to stoichiometry the Hf/O atomic ratios of the films are, as well as the doping level. From XAS data, instead, we can point out how orbital hybridizations are related to structural and physical properties. KW - Structure KW - HfO2 thin films KW - thickness dependence KW - doping dependence KW - atomic layer deposition (ALD) Y1 - 2014 UR - http://www.dpg-verhandlungen.de/year/2014/conference/dresden/part/ds/session/49/contribution/9?lang=en SN - 0420-0195 PB - Deutsche Physikalische Gesellschaft CY - Bad Honnef ER - TY - CHAP A1 - Das, Chittaranjan A1 - Tallarida, Massimo A1 - Schmeißer, Dieter T1 - X-ray linear dichroism in atomic layer deposited Titanium dioxide layers T2 - Verhandlungen der Deutschen Physikalischen Gesellschaft N2 - Among the various metal oxides TiO2 has been investigated because of its wide range of applications in various fields such as self-cleaning, photocatalysis, solar cell, water splitting, bio-implants. In order to increase its efficiency in water splitting and solar cell energy conversion, it is necessary to understand the crystal structure and electronic properties of thin films. Generally the process of synthesis may modify the electronic properties of TiO2. In the present work we show X-ray linear dichroism (XLD) measurements of TiO2 thin films of different polymorphs. Titania thin films were produced by atomic layer deposition (ALD) and were characterized in-situ with X-ray photoelectron and absorption spectroscopy at synchrotron radiation center BESSY-II. We found that that all titania phases show XLD at Ti-L and O-K edges, but the intensity of XLD is different for different phases. We discuss our data in terms of the partial density of states. KW - X-ray linear dichroism KW - atomic layer deposition (ALD) KW - TiO2 KW - X-ray absorption spectroscopy KW - X-ray photoelectron spectroscopy Y1 - 2014 UR - http://www.dpg-verhandlungen.de/year/2014/conference/dresden/part/ds/session/49/contribution/4?lang=en SN - 0420-0195 PB - Deutsche Physikalische Gesellschaft CY - Bad Honnef ER - TY - CHAP A1 - Das, Chittaranjan A1 - Tallarida, Massimo A1 - Schmeißer, Dieter T1 - Control of thickness of SiO2 interfacial layer for photocatalytic water splitting on Si photocathodes T2 - Verhandlungen der Deutschen Physikalischen Gesellschaft N2 - Silicon with a band gap of 1.1eV is an excellent candidate for visible photocatalytic water splitting. But p-type Si has a low quantum yield and are less efficient for water splitting [1]. It has been shown that preventing oxidation of Si surface can shift the onset potential for water reduction by about 300mV towards more positive [2]. We investigated in detail the influence of the SiO2 layer thickness on the onset potential for water splitting on Si photocathodes: we used p-type Si substrates covered with SiO2 layers of varying thickness. Then, we deposited a thin TiO2 film on using atomic layer deposition (ALD) to inhibit Si oxidation during the electrochemical experiment. In this way we could shift the onset potential up to 200mV, depending on the SiO2 thickness. [1]E. L. Warren, S. W. Boettcher, M. G. Walter, H. A. Atwater, and N. S. Lewis: J. Phys. Chem. C 115 (2011) 594. [2]B. Seger, Anders B. Laursen, P. C. K. Vesborg, T. Pedersen, O. Hansen, S. Dahl, I. Chorkendorff, Angew. Chem. Int. Ed. 2012, 51, 9128 KW - photocatalysis KW - water splitting KW - Si photocathodes KW - atomic layer depsoition (ALD) KW - passivation layer KW - TiO2 Y1 - 2014 UR - http://www.dpg-verhandlungen.de/year/2014/conference/dresden/part/ds/session/49/contribution/5?lang=en SN - 0420-0195 PB - Deutsche Physikalische Gesellschaft CY - Bad Honnef ER - TY - CHAP A1 - Haeberle, Jörg A1 - Gaspar, Diana A1 - Barquinha, Pedro A1 - Machulik, Stephan A1 - Janowitz, Christoph A1 - Galazka, Zbigniew A1 - Schmeißer, Dieter T1 - A spectroscopic comparison of AOS thin films and TCO single crystals T2 - Verhandlungen der Deutschen Physikalischen Gesellschaft N2 - Amorphous oxide semiconductors (AOS) and transparent conductive oxides (TCO) are today one of most attractive fields of research in many industrial products, like e.g. high definition, low cost, transparent, and flexible displays. We got the unique possibility to measure a-GIZO and a-SnOx thin films and compare their electronic properties with those of In2O3, Ga2O3, ZnO, and SnO2 single crystals. We use resPES to study the electronic properties. We report on the core levels, the VB PES data, partial Integrated Yield (pIY) and the XAS absorption data. From these we are able to derive the elemental ratio, the pDOS as well as the band scheme. At the O1s resonance we observe multiple Auger processes from which we deduce that a band of localized defect states is located between the Fermi energy and the CBM. The resonant profiles taken at the corresponding metal edges indicate that metal states are involved in the DOS. KW - Amorphous oxide semiconductors (AOS) KW - Transparent conductive oxides (TCO) KW - In2O3 KW - Ga2O3 KW - ZnO KW - SnO2 KW - GIZO KW - resonant photoelectron spectroscopy Y1 - 2014 UR - http://www.dpg-verhandlungen.de/year/2014/conference/dresden/part/hl/session/107/contribution/15?lang=en PB - Deutsche Physikalische Gesellschaft CY - Bad Honnef ER - TY - CHAP A1 - Tallarida, Massimo A1 - Henkel, Karsten A1 - Gargouri, Hassan A1 - Haeberle, Jörg A1 - Gruska, Bernd A1 - Arens, Matthias A1 - Schmeißer, Dieter T1 - New opportunities with Plasma enhanced atomic layer deposition (PE-ALD) of oxides T2 - Verhandlungen der Deutschen Physikalischen Gesellschaft N2 - Thermal Atomic layer deposition (T-ALD) of oxides is obtained by the pulsed alternation of a metal precursor and an oxygen source, typically H2O or O3, and the reactions leading to ALD are thermally activated. With plasma enhanced ALD (PE-ALD), instead, the oxygen source is represented by an oxygen-containing plasma. The higher reactivity of the plasma-generated species extend the capabilities of ALD: improved film quality and increased flexibility in process conditions, such as growth at low temperature, are typical advantages of PE-ALD over T-ALD. We report on results on the preparation of thin (<100 nm) aluminum oxide (Al2O3) films on silicon substrates using T-ALD and PE-ALD in the SENTECH SI ALD LL system. Films were deposited in the temperature range between room temperature (RT) and 200∘C. We characterized the films with spectroscopic ellipsometry (thickness, refractive index, growth rate) over 4" wafers and with X-ray photoelectron spectroscopy. All films resulted in a high degree of homogeneity, independent of the deposition temperature. Investigations with capacitance-voltage and conductance-voltage measurements showed a very low interface states density for the PE-ALD films. KW - Atomic layer deposition KW - Plasma enhanced atomic layer deposition KW - X-ray photoelectron spectroscopy KW - spectroscopic ellipsometry KW - dielectric properties KW - Al2O3 Y1 - 2014 UR - http://www.dpg-verhandlungen.de/year/2014/conference/dresden/part/ds/session/49/contribution/3?lang=en SN - 0420-0195 PB - Deutsche Physikalische Gesellschaft CY - Bad Honnef ER - TY - CHAP A1 - Rösken, Liz M. A1 - Rohrbeck, Magdalena A1 - Catena, Alberto A1 - Wehner, Stefan A1 - Fischer, Christian B. A1 - Richter, Matthias A1 - Städter, Matthias A1 - Schmeißer, Dieter T1 - Characterization of diamond-like carbon (DLC) coatings on industrial polyethylene and polyoxymethylene by SEM, AFM and NEXAFS T2 - Verhandlungen der Deutschen Physikalischen Gesellschaft N2 - Diamond-like carbon (DLC) coatings are often utilized to change the base properties of raw materials, e. g. to gain robust or chemically inert surfaces. Here the deposition of hard DLC layers on soft polymers is tested. The common industrial polymers polyethylene (PE) and polyoxymethylene (POM) serve as model substrates in the present work. In order to examine the effect of the carbonaceous layers on PE and POM thin diamond-like carbon films were realized via PECVD. The topography of the different coatings was detected by AFM and SEM uncovering the different influence of the substrate material, e. g. interlayer formation for PE. The composition of the surface structures were analyzed in more detail by NEXAFS, showing the hybridization of carbon atoms in chemical different surroundings from the pure polymer to the carbon coating. The comparison of carbon coated PE- and POM-composites enables valuable insights into the interaction between soft substrates and hard coatings. For the chosen settings in PECVD, POM showed incomplete coating, while on PE a very stable and robust composite has formed. KW - Diamond-like carbon (DLC) KW - soft plolymers KW - Scanning electron microscopy (SEM) KW - Atomic foce microscopy (AFM) KW - Near-edge X-Ray absorption spectroscopy (NEXAFS) Y1 - 2014 UR - http://www.dpg-verhandlungen.de/year/2014/conference/dresden/part/ds/session/43/contribution/20?lang=en SN - 0420-0195 PB - Deutsche Physikalische Gesellschaft CY - Bad Honnef ER - TY - CHAP A1 - Alberton Corrêa, Silma A1 - Brizzi, Simone A1 - Tallarida, Massimo A1 - Schmeißer, Dieter T1 - Spectroscopic investigation of the electronic structure of HfO2 thin films T2 - Verhandlungen der Deutschen Physikalischen Gesellschaft N2 - HfO2 is of current interest as a material for memristive and ferroelectric devices. In this work, we used spectroscopic techniques to evaluate the electronic structure and defects mechanisms in thin HfO2 films deposited by atomic layer deposition and by metal-organic chemical vapour deposition. The partial density of states for the valence and the conduction bands was determined by the detailed analysis of the O1s resonance profile by resonant photoelectron spectroscopy. From the relative contributions we find a CNL 6.5 eV referred to Evac. We also find that the positions of valence band maximum and conduction band minimum, the excitation range for the polaronic states and the range of charge transfer band were not influenced by the preparation conditions. All films exhibit a band gap of 6.2 eV. However, the Fermi level position was found to vary within about 1.2 eV depending on the preparation conditions, which we argue that is due to the presence of charges within the films. This explains why the position of the Fermi level depends on the individual preparation parameters. KW - electronic structure KW - HfO2 Y1 - 2015 UR - http://www.dpg-verhandlungen.de/year/2015/conference/berlin/part/ds/session/36/contribution/106?lang=en SN - 0420-0195 SP - S. 211 PB - Deutsche Physikalische Gesellschaft CY - Bad Honnef ER - TY - CHAP A1 - Das, Chittaranjan A1 - Tallarida, Massimo A1 - Schmeißer, Dieter T1 - Determination of charge neutrality level in TiO2 films from res-PES measurements T2 - Verhandlungen der Deutschen Physikalischen Gesellschaft N2 - Titanium dioxide is one of the metal oxides which have versatile application in different fields. The applications of TiO2 are in the field of cosmetics, electronics (memory resistive switching), dye, photonics and photocatalysis. In the present paper we study the resPES data of TiO2 films prepared by atomic layer deposition. The measurements are done in in-situ system at beam line U49/2-PGM2 in BESSY-II. The density of state in valence band and conduction band is obtained from the resonance photo electron spectroscopy (res-PES) of the O1s and the Ti2p edge. The data allow to determine the position of the VBM and CBM with respect to the Fermi energy. Also the existence of localized O2p and Ti2p derived states is deduced which appear in the gap. In addition we determine the charge neutrality level (CNL).The CNL is the position where the weight of the density of state from valence band and conduction band are equal. This is an important quantity for the discussion of interface properties. KW - charge neutrality level KW - resonant photoelectron spectroscopy KW - TiO2 Y1 - 2015 UR - http://www.dpg-verhandlungen.de/year/2015/conference/berlin/part/o/session/58/contribution/12?lang=en SN - 0420-0195 SP - S. 415 PB - Deutsche Physikalische Gesellschaft CY - Bad Honnef ER - TY - CHAP A1 - Haeberle, Jörg A1 - Gaspar, Diana A1 - Barquinha, Pedro A1 - Pereira, Luís A1 - Martins, Rodrigo A1 - Fortunato, Elvira A1 - Machulik, Stephan A1 - Janowitz, Christoph A1 - Manzke, Recardo A1 - Schmeißer, Dieter T1 - The Electronic Structure of amorphuos SnOx thin films and SnO2 single crystals T2 - Verhandlungen der Deutschen Physikalischen Gesellschaft N2 - We compare the electronic properties of amorphous p-type SnOx thin film grown by rf magnetron sputtering with those of n-type SnO2 single crystals grown by cvt. We use resPES to study the electronic band structure. We measure the core levels, the VB PES data, partial Integrated Yield (pIY) and the XAS absorption data. From the resPES data recorded at the O1s and the Sn3d edges we derive the VB pDOS and the CB pDOS . The differences are most pronounced in the position of the VBM as for the a-SnOx films there appears a band closer to the Fermi energy. In addition for the SnOx we find in the XAS and pIY data a significant peak that appears right at the Fermi energy. This peak is absent in the single crystalline data. We attribute this to a change in the configuration of the Sn4d states to form a 4d8 configuration instead of 4d9 and 4d10 configurations which are identified in the single crystalline data. KW - electronic structure KW - SnO2 Y1 - 2015 UR - http://www.dpg-verhandlungen.de/year/2015/conference/berlin/part/hl/session/21/contribution/17?lang=en SN - 0420-0195 SP - S. 271 PB - Deutsche Physikalische Gesellschaft CY - Bad Honnef ER - TY - CHAP A1 - Israel, Johannes A1 - Rachow, Fabian A1 - Schwiertz, Carola A1 - Charlafti, Evgenia A1 - Müller, Klaus A1 - Schmeißer, Dieter T1 - Self restriction oft the Sabatier reaction in large scale T2 - Verhandlungen der Deutschen Physikalischen Gesellschaft N2 - A main goal for a sustainable energy supply is a long term energy storage system. One opportunity in this research field is the power to gas concept, where the produced gas can be fed in the existing network of natural gas. Here we show in a technical scale how the direct CO2 conversion to methane according the Sabatier reaction, CO2 + 4 H2 → CH4 + 2H2O , is self organized. At a certain limit of gas flow, a steady state equilibrium of exothermic heat production and thermal flow is reached and the reaction needs no further external annealing. We find for the maximum volume rate at the steady state equilibirum a shift of around 250 ∘C above the optimized temperature of the catalytic supported chemical equilibrium. It is shown that also with this setup the used catalyst works with a stable conversion higher than 80 % under the reached temperature and given pressure conditions. KW - methanation KW - Sabatier reaction Y1 - 2015 UR - http://www.dpg-verhandlungen.de/year/2015/conference/berlin/part/ake/session/9/contribution/4?lang=en PB - Deutsche Physikalische Gesellschaft CY - Bad Honnef ER - TY - CHAP A1 - Mandal, Dipankar A1 - Henkel, Karsten A1 - Schmeißer, Dieter T1 - A polymer nanogenerator based on silver nanoparticles doped electrospun P(VDF-HFP) nanofibers T2 - Verhandlungen der Deutschen Physikalischen Gesellschaft N2 - The rising energy demand within the increasing mobility of human society has driven the development of new alternative power sources for portable devices with ultra-low electric power consumption. Based on its piezoelectric properties poly-vinylidene fluoride (PVDF) is a good candidate for mechanical energy harvesting for such devices. Moreover the copolymer poly(vinylidene fluoride-hexafluoropropylene) [P(VDF-HFP)] offers better film flexibility and cost-effectiveness than pure PVDF. We report on a polymer nanogenerator (PNG) based on electrospun P(VDF-HFP) nanofibers doped with silver nanoparticles (Ag-NPs). The electrospun fibers were characterized by FTIR, XPS, SEM and pressure imparting probe. It has been found that the yield of the piezoelectric phase is increased by the addition of Ag-NPs due to an interaction between surface charges of Ag-NPs and the molecular dipoles. Furthermore, defects in the P(VDF-HFP) electrospun fibers are removed. Accordingly, a significant enhancement in the output power of the PNG was found. Similar trends were also observed with Pd-NPs. KW - nanogenerator KW - PVDF KW - nanoparticles Y1 - 2015 UR - http://www.dpg-verhandlungen.de/year/2015/conference/berlin/part/ds/session/36/contribution/34?lang=en SN - 0420-0195 SP - S. 208 PB - Deutsche Physikalische Gesellschaft CY - Bad Honnef ER - TY - CHAP A1 - Rachow, Fabian A1 - Israel, Johannes A1 - Schwiertz, Carola A1 - Charlafti, Evgenia A1 - Müller, Klaus A1 - Schmeißer, Dieter T1 - CO2 Methanation with different gas mixtures T2 - Verhandlungen der Deutschen Physikalischen Gesellschaft N2 - A key issue in the Energiewende in Germany is the storage of excess energy, as it enables energy management systems to react to fluctuating sources and enhances the flexibility of an energy mix. Power to Gas may be the most reasonable approach to store the energy in the form of hydrogen or synthetic natural gas. We study the direct conversion of CO2 by the Sabatier reaction to gain a methane based mixture which can replace natural gas in CHP plants and gas motors and can help to partially reduce the CO2 emission. In laboratory scale we investigated the performance (with IR and QMS) of Ni-based catalyst for different sources of CO2 like clean CO2, CO2 emitted as flue gas from an Oxyfuel power plant or a synthetic mixture with O2, N2 and SO2 in concentration typical for conventional power plants. Measurements from an up-scaled system are also presented, showing data important for a technical application. Here, we are able to convert more than 200kg CO2/day with conversion rates up to 90%. KW - methanation KW - Sabatier reaction KW - contamination KW - catalyst Y1 - 2015 SN - 0420-0195 SP - S. 539 PB - Deutsche Physikalische Gesellschaft CY - Bad Honnef ER - TY - CHAP A1 - Rouissi, Zied A1 - Tallarida, Massimo A1 - Schmeißer, Dieter T1 - Study of atomic layer deposition with scanning tunneling microscopy T2 - Verhandlungen der Deutschen Physikalischen Gesellschaft N2 - We present a work concerning the study of the initial steps of atomic layer deposition (ALD) with scanning tunneling microscopy (STM). We focus on the role of the substrates which has been often neglected.However, the detailed knowledge of precursor-substrate reactions is important for the understanding of how ALD proceeds. We report on the reaction of the Al-precursor, trimethyl-Al (TMA), on nanostructured surfaces such as Ag nanoclusters and nanostripes prepared by thermal evaporation on HOPG. We characterized the surface before and after one TMA adsorption pulse at room temperature, observing that the morphology of step edges changes after TMA creating a new terraces with a width of 7-10 nm, translated in the direction of the TMA deposition. This shows that, in case of a regular stepped surface, the substrate morphology would keep the same regularity with the translation in a direction privileged by the precursor absorption. KW - Atomic layer deposition (ALD) KW - Scanning tunneling microscopy (STM) KW - Al2O3 Y1 - 2015 SN - 0420-0195 SP - S. 401 PB - Deutsche Physikalische Gesellschaft CY - Bad Honnef ER - TY - CHAP A1 - Rouissi, Zied A1 - Brizzi, Simone A1 - Alberton Corrêa, Silma A1 - Tallarida, Massimo A1 - Schmeißer, Dieter T1 - Comparison of charge neutrality level of Cu/CuO/HfO2 and Si/SiO2/HfO2 T2 - Verhandlungen der Deutschen Physikalischen Gesellschaft N2 - Copper Oxide (CuO) is a promising metal oxide semiconductor, which can be used in different applications, such as catalysis, solar energy conversion, and water splitting. In this work, we use resonance photoemission spectroscopy (ResPES) to analyse the electronics properties of HfO2 films deposited on Cu/CuO and Si/SiO2. For that, we deposited 10 cycles of HfO2 by atomic layer deposition (ALD) on Cu/CuO and Si/SiO2 samples and investigated the density states for the valence and conduction bands which were determined by the detailed analysis of the O1s resonance profile obtained by ResPES. We compared the positions of valence band maximum and conduction band minimum, the excitation range for the polaronic states and the range of charge transfer band in Cu/CuO/HfO2 and Si/SiO2/HfO2. Also, we determined the band gap and the charge neutrality level (CNL). KW - charge neutrality level (CNL) KW - resonant photoelectron spectroscopy KW - HfO2 Y1 - 2015 UR - http://www.dpg-verhandlungen.de/year/2015/conference/berlin/part/ds/session/36/contribution/47?lang=en SN - 0420-0195 SP - 208 PB - Deutsche Physikalische Gesellschaft CY - Bad Honnef ER - TY - GEN A1 - Kramm, Ulrike Ingrid A1 - Zana, Alessandro A1 - Vosch, Tom A1 - Fiechter, Sebastian A1 - Arenz, Matthias A1 - Schmeißer, Dieter T1 - On the structural composition and stability of Fe–N–C catalysts prepared by an intermediate acid leaching T2 - Journal of Solid State Electrochemistry N2 - The development of highly active and stable non-noble metal catalysts (NNMC) for the oxygen reduction reaction (ORR) in proton exchange membrane fuel cells (PEM-FC) becomes of importance in order to enable cost reduction. In this work, we discuss the structural composition as derived from Fe-57Mößbauer spectroscopy and X-ray diffraction, catalytic performance determined by a rotating (ring)disk electrode (RRDE) technique and stability evaluation of our Fe–N–C catalysts prepared by an intermediate acid leaching (IAL). The advantage of this IAL is given by a high density of active sites within the catalyst, as even without sulphur addition, an iron carbide formation and related disintegration of active sites are inhibited. In addition, our accelerated stress tests illustrate better stability of the sulphur-free IAL catalyst in comparison to the sulphur-added one. KW - Non-noblemetal catalysts (NNMC) KW - Fe–N–C KW - oxygen reduction reaction (ORR) KW - PEM fuel cell (PEM-FC) KW - Accelerated stress tests (ASTs) KW - Mößbauer spectroscopy Y1 - 2016 U6 - https://doi.org/10.1007/s10008-015-3060-z SN - 1432-8488 SN - 1433-0768 N1 - 1. ISSN: P 2. ISSN: E VL - 20 IS - 4 SP - 969 EP - 981 ER - TY - GEN A1 - Müller, K. A1 - Goryachko, Andriy A1 - Burkov, Yevgen A1 - Schwiertz, Carola A1 - Ratzke, Markus A1 - Köble, J. A1 - Reif, Jürgen A1 - Schmeißer, Dieter T1 - Scanning Kelvin probe and photoemission electron microscopy of organic source-drain structures T2 - Synthetic Metals Y1 - 2004 VL - 146 IS - 3 SP - 377 EP - 382 ER - TY - GEN A1 - Kraatz, Matthias A1 - Gall, Martin A1 - Zschech, Ehrenfried A1 - Schmeißer, Dieter A1 - Ho, Paul S. T1 - A model for statistical electromigration simulation with dependence on capping layer and Cu microstructure in two dimensions T2 - Computational Materials Science N2 - A model has been developed to simulate electromigration degradation in an interconnect segment in two dimensions using finite differences. The model was deployed on a parallel computer to statistically assess the lifetimes. The simulation takes into account the diffusion paths for electromigration mass transport along the grain boundaries and the capping layer. The microstructure is generated with a Monte Carlo algorithm, using a modified Potts model. Diffusivities along the grain boundaries and the capping layers were applied as multiples of a base diffusivity and were statistically scattered. The simulation results correlate well with electromigration tests. KW - Electromigration KW - Grain growth KW - Computer simulation KW - 2D KW - Copper Interconnects KW - On-chip KW - Statistics KW - Parallel computing Y1 - 2016 U6 - https://doi.org/10.1016/j.commatsci.2016.04.020 SN - 1879-0801 SN - 0927-0256 VL - 120 SP - 29 EP - 35 ER - TY - GEN A1 - Sowinska, Małgorzata A1 - Brizzi, Simone A1 - Das, Chittaranjan A1 - Kärkkänen, Irina A1 - Schneidewind, Jessica A1 - Naumann, Franziska A1 - Gargouri, Hassan A1 - Henkel, Karsten A1 - Schmeißer, Dieter T1 - Analysis of nitrogen species in titanium oxynitride ALD films T2 - Applied Surface Science N2 - Titanium oxynitride films are prepared by plasma enhanced atomic layer deposition method using two different precursors and nitrogen sources. Synchrotron radiation-based X-ray photoelectron spectroscopy and X-ray absorption spectroscopy are used to characterize the nitrogen species incorporated within these films depending on the deposition parameters. It is found that nitrogen atoms in these films are differently bonded. In particular, it can be distinguished between Ti-ON and Ti-N bonding configurations and molecular nitrogen species caused by precursor fragments. KW - titanium oxynitride KW - X-ray photoelectron spectroscopy KW - X-ray absorption spectroscopy KW - ALD process parameters Y1 - 2016 U6 - https://doi.org/10.1016/j.apsusc.2016.02.096 SN - 0169-4332 SN - 1873-5584 VL - 381 SP - 42 EP - 47 ER - TY - GEN A1 - Das, Chittaranjan A1 - Richter, Matthias A1 - Tallarida, Massimo A1 - Schmeißer, Dieter T1 - Electronic properties of atomic layer deposited films, anatase and rutile TiO2 studied by resonant photoemission spectroscopy T2 - Journal of Physics D: Applied Physics N2 - The TiO2 films are prepared by atomic layer deposition (ALD) method using titanium isopropoxide precursors at 250 °C and analyzed using resonant photoemission spectroscopy (resPES). We report on the Ti2p and O1s core levels, on the valence band (VB) spectra and x-ray absorption spectroscopy (XAS) data, and on the resonant photoelectron spectroscopy (resPES) profiles at the O1s and the Ti3p absorption edges. We determine the elemental abundance, the position of the VB maxima, the partial density of states (PDOS) in the VB and in the conduction band (CB) and collect these data in a band scheme. In addition, we analyze the band-gap states as well as the intrinsic states due to polarons and charge-transfer excitations. These states are found to cause multiple Auger decay processes upon resonant excitation. We identify several of these processes and determine their relative contribution to the Auger signal quantitatively. As our resPES data allow a quantitative analysis of these defect states, we determine the relative abundance of the PDOS in the VB and in CB and also the charge neutrality level. The anatase and rutile polymorphs of TiO2 are analyzed in the same way as the TiO2 ALD layer. The electronic properties of the TiO2ALD layer are compared with the anatase and rutile polymorphs of TiO2. In our comparative study, we find that ALD has its own characteristic electronic structure that is distinct from that of anatase and rutile. However, many details of the electronic structure are comparable and we benefit from our spectroscopic data and our careful analysis to find these differences. These can be attributed to a stronger hybridization of the O2p and Ti3d4s states for the ALD films when compared to the anatase and rutile polymorphs. KW - titanium dioxide (TiO2) KW - resonant photoemission spectroscopy (resPES) KW - defect states KW - partial density of states (pDOS) KW - charge neutrality level (CNL) Y1 - 2016 U6 - https://doi.org/10.1088/0022-3727/49/27/275304 SN - 0022-3727 SN - 1361-6463 VL - 49 IS - 27 SP - 275304-1 EP - 275304-17 ER -