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 - TY - GEN A1 - Das, Chittaranjan A1 - Kot, Małgorzata A1 - Henkel, Karsten A1 - Schmeißer, Dieter T1 - Engineering of Sub-Nanometer SiOₓ Thickness in Si Photocathodes for Optimized Open Circuit Potential T2 - ChemSusChem N2 - Silicon is one of the most promising materials to be used for tandem-cell water-splitting devices. However, the electrochemical instability of bare Si makes it difficult to be used for stable devices. Besides that, the photovoltage loss in Si, caused by several factors (e.g., metal oxide protection layer and/or SiO₂/Si or catalyst/Si interface), limits its use in these devices. In this work, we present that an optimized open circuit potential (OCP) of Si can be obtained by controlling the SiOₓ thickness in sub-nanometer range. It can be done by means of a simple and cost-effective way using the combination of a wet chemical etching and the low temperature atomic layer deposition (ALD) of TiO₂. We have found that a certain thickness of the native SiOₓ is necessary to prevent further oxidation of the Si photocathode during the ALD growth of TiO₂. Moreover, covering the Si photocathode with an ALD TiO₂ layer enhances its stability. KW - atomic layer deposition KW - open circuit potential KW - Si photocathodes KW - silica KW - stability Y1 - 2016 U6 - https://doi.org/10.1002/cssc.201600777 SN - 1864-5631 SN - 1864-564X VL - 9 IS - 17 SP - 2332 EP - 2336 ER - TY - GEN A1 - Haeberle, Jörg A1 - Machulik, Stephan A1 - Janowitz, Christoph A1 - Manzke, Recardo A1 - Gaspar, Diana A1 - Barquinha, Pedro A1 - Schmeißer, Dieter T1 - Gap states in the electronic structure of SnO2 single crystals and amorphous SnOxthin films T2 - Journal of Applied Physics N2 - The electronic structure of a SnO2 single crystal is determined by employing resonant photoelectron spectroscopy. We determine the core level, valence band, and X-ray absorption (XAS) data and compare these with those of amorphous SnOx thin films. We find similar properties concerning the data of the core levels, the valence band features, and the absorption data at the O1s edge. We find strong signals arising from intrinsic in-gap states and discuss their origin in terms of polaronic and charge-transfer defects. We deduce from the XAS data recorded at the Sn3d edge that the Sn4d10 ground state has contributions of 4d9 and 4d8 states due to configuration interaction. We identify localized electronic states depending on the strength of the 4d-5s5p interaction and of the O2p-to-Sn4d charge-transfer processes, both appear separated from the extended band-like states of the conduction band. For the amorphous SnOx thin films, significant differences are found only in the absorption data at the Sn3d-edge due to a stronger localization of the in-gap states. KW - SnO2 KW - electronic structure KW - gap states KW - resonant photoelectron spectroscopy (resPES) Y1 - 2016 U6 - https://doi.org/10.1063/1.4962313 SN - 0021-8979 SN - 1089-7550 VL - 120 IS - 10 SP - 105101-1 EP - 105101-13 ER - TY - GEN A1 - Garain, Samiran A1 - Barman, Koushik A1 - Sinha, Tridib Kumar A1 - Jasimuddin, Sk A1 - Haeberle, Jörg A1 - Henkel, Karsten A1 - Schmeißer, Dieter A1 - Mandal, Dipankar T1 - Cerium(III) Complex Modified Gold Electrode: An Efficient Electrocatalyst for the Oxygen Evolution Reaction T2 - ACS Applied Materials and Interfaces N2 - Exploring efficient and inexpensive electrocatalysts for the oxidation of water is of great importance for various electrochemical energy storage and conversion technologies. In the present study, a new water-soluble [Ce III(DMF) (HSO4)3] complex was synthesized and characterized by UV−vis, photoluminescence, and high-resolution X-ray photoelectron spectroscopy techniques. Owing to classic 5d →4f transitions, an intense photoluminescence in the UV region was observed from the water-soluble [CeIII(DMF (HSO4)3] complex. A stacking electrode was designed where self-assembled L-cysteine monolayer modified gold was immobilized with the synthesized cerium complex and was characterized by scanning electron microscopy, electrochemical impedance spectroscopy, and cyclic voltam-metry. The resulting electrode, i.e., [CeIII(DMF)(HSO4)3]−L-cysteine-Au stacks shows high electrocatalytic water oxidation behavior at an overpotential of η ≈0.34 V under neutral pH conditions. We also demonstrated a way where the overpotential is possible to decrease upon irradiation of UV light. KW - water oxidation KW - electrocatalyst KW - photoelectrocatalyst KW - photoluminescence KW - Ce(III)-complex KW - L-cysteine KW - gold electrode Y1 - 2016 U6 - https://doi.org/10.1021/acsami.6b05236 SN - 1944-8244 SN - 1944-8252 VL - 8 IS - 33 SP - 21294 EP - 21301 ER - TY - CHAP A1 - Müssig, Hans-Joachim A1 - Dabrowski, Jarek Marek A1 - Schmeißer, Dieter T1 - Interface Characterization of the High-k Gate Dielectric Pr2O3 T2 - Verhandlungen der Deutschen Physikalischen Gesellschaft N2 - Pr2O3 is currently under consideration as a potential alternative gate dielectric candidate for sub-0.1 µm Complementary Metal Oxide Semiconductor (CMOS) technology. For all thin gate dielectrics, the interface with silicon plays a key role, and in most cases is a dominant factor in determining overall electrical properties. We studied the Pr2O3/Si(001) interface by a non-destructive depth profiling using synchrotron radiation photo-electron spectroscopy and ab initio calculations. Our results provide evidence that a chemical reactive interface exists consisting of a mixed Si-Pr oxide such as (Pr2O3)x(SiO2)1−x, typically in non-stoichiometric composition. There is no formation of neither an interfacial SiO2 nor interfacial silicide: all Si-Pr bonds are oxidized and all SiO4 units dissolve in the Pr oxide. Interfacial silicates like (Pr2O3)x(SiO2)1−x are promising high-k dielectric materials because they represent incremental modification of SiO2 films by Pr ions so that the interface characteristics can be similar to Si-SiO2 interface properties. Under ultrahigh vacuum conditions, silicide formation is observed when the silicate film is heated above 800∘C. The praseodymium silicate system observed at the interface between Si(001) and Pr2O3 offers greater flexibility towards integration of Pr2O3 into future CMOS technologies. KW - high-k KW - Pr2O3 KW - X-ray photoelectron spectroscopy (XPS) KW - ab inito calculations KW - depth profiling KW - silicate Y1 - 2003 UR - http://www.dpg-verhandlungen.de/year/2003/conference/dresden/part/hl/session/40/contribution/1?lang=de PB - Deutsche Physikalische Gesellschaft CY - Bad Honnef ER -