@misc{SchmeisserHenkelJanowitz, author = {Schmeißer, Dieter and Henkel, Karsten and Janowitz, Christoph}, title = {Ionicity of ZnO - a key system for transparent conductive oxides}, series = {epl : a letters journal exploring the frontiers of physics}, volume = {123}, journal = {epl : a letters journal exploring the frontiers of physics}, number = {2}, issn = {1286-4854}, doi = {10.1209/0295-5075/123/27003}, pages = {27003-p1 -- 27003-p7}, abstract = {The electronic structure of ZnO is dominated by coexisting electron and ionic states/bonds caused by charge polarization and self-trapping phenomena of the valence charges. Their interplay manifests itself in intrinsic electronic defects which have different degree of spatial localization and electronic correlation. The relative abundance of intrinsic defects can be determined by the ionicity factor fi and its value can be derived from three independent experimental procedures in a consistent way. This approach also explains the complex satellite features in the XPS and XAS data. Ionicity and satellite formation are two experimental findings which can be explained consistently in the same context of mixed-atomic valence states and intrinsic electronic defects.}, language = {en} } @misc{KotKegelmannDasetal., author = {Kot, Małgorzata and Kegelmann, Lukas and Das, Chittaranjan and Kus, Peter and Tsud, Nataliya and Matol{\´i}nov{\´a}, Iva and Albrecht, Steve and Matolin, Vladimir and Schmeißer, Dieter}, title = {Room temperature atomic layer deposited Al₂O₃ improves perovskite solar cells efficiency over time}, series = {ChemSusChem}, volume = {11}, journal = {ChemSusChem}, number = {20}, issn = {1864-5631}, doi = {10.1002/cssc.201801434}, pages = {3640 -- 3648}, abstract = {Electrical characterisation of perovskite solar cells consisting of room-temperature atomic-layer-deposited aluminium oxide (RT-ALD-Al₂O₃) film on top of a methyl ammonium lead triiodide (CH₃NH₃PbI₃) absorber showed excellent stability of the power conversion efficiency (PCE) over along time. Under the same environmental conditions (for 355 d), the average PCE of solar cells without the ALD layer decreased from 13.6 to 9.6 \%, whereas that of solar cells containing 9 ALD cycles of depositing RT-ALD-Al₂O₃on top of CH₃NH₃PbI₃ increased from 9.4 to 10.8 \%. Spectromicroscopic investigations of the ALD/perovskite interface revealed that the maximum PCE with the ALD layer is obtained when the so-called perovskite cleaning process induced by ALD precursors is complete. The PCE enhancement over time is probably related to a self-healing process induced by the RT-ALD-Al₂O₃ film. This work may provide a new direction for further improving the long-term stability and performance of perovskite solar cells.}, language = {en} } @incollection{HenkelHaeberleMuelleretal., author = {Henkel, Karsten and Haeberle, J{\"o}rg and M{\"u}ller, Klaus and Janowitz, Christoph and Schmeißer, Dieter}, title = {Preparation, properties and electronic structure of SnO₂}, series = {Single Crystals of Electronic Materials}, booktitle = {Single Crystals of Electronic Materials}, editor = {Fornari, Robert}, publisher = {Elsevier, Woodhead Publishing}, address = {Duxford}, isbn = {978-0-08-102096-8}, pages = {547 -- 572}, abstract = {This chapter reports about tin oxide (SnO₂), a material which belongs to the transparent conducting oxide family and is best characterized by its high conductivity, high carrier mobility, and the ability to form p-type conductivity. We correlate these properties in terms of localized intrinsic electronic defect states which are resolved by resonant photoelectron spectroscopy measurements. We describe SnO₂ in terms of an inhomogeneous, mixed-ionic-covalent semiconductor in which these intrinsic electronic defects state are stabilized.}, language = {en} } @misc{MaityGarainHenkeletal., author = {Maity, Kuntal and Garain, Samiran and Henkel, Karsten and Schmeißer, Dieter and Mandal, Dipankar}, title = {Natural Sugar-Assisted, Chemically Reinforced, Highly Durable Piezoorganic Nanogenerator with Superior Power Density for Self-Powered Wearable Electronics}, series = {ACS Applied Materials \& Interfaces}, volume = {10}, journal = {ACS Applied Materials \& Interfaces}, issn = {1944-8244}, doi = {10.1021/acsami.8b15320}, pages = {44018 -- 44032}, abstract = {Natural piezoelectric materials are of increasing interest, particularly for applications in biocompatible, implantable, and flexible electronic devices. In this paper, we introduce a cost-effective, easily available natural piezoelectric material, that is, sugar in the field of wearable piezoelectric nanogenerators (PNGs) where low electrical output, biocompatibility, and performance durability are still critical issues. We report on a high-performance piezoorganic nanogenerator (PONG) based on the hybridization of sugar-encapsulated polyvinylidenefluoride (PVDF) nanofiber webs (SGNFW). We explore the crucial role of single-crystal sugar having a fascinating structure along with the synergistic enhancement of piezoelectricity during nanoconfinement of sugar-interfaced macromolecular PVDF chains. As a consequence, the SGNFW-based PONG exhibits outstanding electricity generation capability (e.g.,∼100 V under 10 kPa human finger impact and maximum power density of 33 mW/m2) in combination with sensitivity to abundantly available different mechanical sources (such as wind flow, vibration, personal electronics, and acoustic vibration). Consequently, it opens up suitability in multifunctional self-powered wearable sensor designs for realistic implementation. In addition, commercially available capacitors are charged up effectively by the PONG because of its rapid energy storage capability. The high performance of the PONG not only offers"battery-free"energy generation (several portable units of light-emitting diodes and a liquid crystal display screen are powered up without using external storage) but also promises its use in wireless signal transmitting systems, which widens the potential in personal health care monitoring. Furthermore, owing to the geometrical stress confinement effect, the PONG is proven to be a highly durable power-generating device validated by stability test over 10 weeks. Therefore, the organic nanogenerator would be a convenient solution for portable personal electronic devices that are expected to operate in a self-powered manner.}, language = {en} } @misc{BignardiLizzitBanaetal., author = {Bignardi, Luca and Lizzit, Daniel and Bana, Harsh and Travaglia, Elisabetta and Lacovig, Paolo and Sanders, Charlotte E. and Dendzik, Maciej and Michiardi, Matteo and Bianchi, Marco and Ewert, Moritz and Buß, Lars and Falta, Jens and Flege, Jan Ingo and Baraldi, Alessandro and Larciprete, Rosanna and Hofmann, Philip and Lizzit, Silvano}, title = {Growth and structure of singly oriented single-layer tungsten disulfide on Au(111)}, series = {Physical Review Materials}, volume = {3}, journal = {Physical Review Materials}, number = {1}, issn = {2475-9953}, doi = {10.1103/PhysRevMaterials.3.014003}, pages = {8}, abstract = {A singly oriented, single layer of tungsten disulfide (WS2) was epitaxially grown on Au(111) and characterized at the nanoscale by combining photoelectron spectroscopy, photoelectron diffraction, and low-energy electron microscopy. Fast x-ray photoelectron spectroscopy revealed that the growth of a single crystalline orientation is triggered by choosing a low W evaporation rate and performing the process with a high temperature of the substrate. Information about the single orientation of the layer was obtained by acquiring x-ray photoelectron diffraction patterns, revealing a 1H polytype for the WS2 layer and, moreover, determining the structural parameters and registry with the substrate. The distribution, size, and orientation of the WS2 layer were further ascertained by low-energy electron microscopy.}, language = {en} } @misc{FlegeHoeckerSadowskietal., author = {Flege, Jan Ingo and H{\"o}cker, Jan and Sadowski, Jerzy T. and Senanayake, Sanjaya D. and Falta, Jens}, title = {Nucleation, morphology, and structure of sub-nm thin ceria islands on Rh(111)}, series = {Surface and Interface Analysis}, volume = {51}, journal = {Surface and Interface Analysis}, number = {1}, issn = {0142-2421}, doi = {10.1002/sia.6567}, pages = {110 -- 114}, abstract = {The early stages of ceria growth on Rh(111) at high temperature have been investi-gated by low-energy electron microscopy and photoemission electron microscopy. Ceria was deposited by reactive Ce deposition at substrate temperatures between 700°C and 900°C in an oxygen ambient of 5 × 10-7 Torr. At 700°C, we observe a high nucleation density of 100-nm-sized islands. With elevated temperature, the average island size increases, and the nucleation density decreases. Triangularly shaped islands nucleate preferentially at step edges, with seemingly abrupt interfaces between Ce and Rh. At 900°C, the island edges are still straight, but during growth the islands lose their triangular form. Instead, growth along the substrate step edges becomes favorable, leading to a maze-like morphology. Atomic force microscopy reveals islands of 0.3 to 0.6-nm height, consistent with ceria islands formed by one or two trilayers (O―Ce―O) of ceria. Moreover, the second layer of the islands is also triangularly shaped, with lateral dimensions of 50 nm and similar step heights. IV-LEEM analysis leads to the conclusion that the rhodium surface is covered by a layer of reduced cerium oxide, which is partially overgrown by smaller islands of CeO2.}, language = {en} } @misc{BiswasGarainMaityetal., author = {Biswas, Anirban and Garain, Samiran and Maity, Kuntal and Henkel, Karsten and Schmeißer, Dieter and Mandal, Dipankar}, title = {Influence of In situ Synthesized Bismuth Oxide Nanostructures in Self-poled PVDF-based Nanogenerator for Mechanical Energy Harvesting Application}, series = {Polymer Composites}, volume = {40}, journal = {Polymer Composites}, number = {S1}, issn = {0272-8397}, doi = {10.1002/pc.24628}, pages = {E265 -- E274}, abstract = {A self-poled piezoelectric nanogenerator (NG) based on bismuth oxide (Bi2O3) nanostructures (BNS)-doped poly(vinylidene fluoride) (PVDF) is demonstrated. The in-situ formation of BNS incorporated in the PVDF matrix is realized through a simple solution casting technique that favors the nucleation and stabilization of 99.6\% of the electroactive phase in PVDF (i.e., beta/gamma-phases). The enhancement of the output voltage (3.6 V) and current (2.4mA) of the NG based on a nonelectrically poled BNS containing PVDF composite film is achieved and demonstrated by simple repeated human finger imparting. The improvement of the output performance is influenced by the generation of the electroactive polar beta-phase in PVDF, due to the electrostatic interactions between the -CH2-/-CF2- dipoles of PVDF and the surface charge of the BNS. The NGs are able to charge up capacitors demonstrating that the power generation from such a hybrid device structure can be utilized for powering various portable devices.}, language = {en} } @misc{KotHenkelNaumannetal., author = {Kot, Małgorzata and Henkel, Karsten and Naumann, Franziska and Gargouri, Hassan and Tarnawska, Lidia Lupina and Wilker, Viola and Kus, Peter and Pożarowska, Emilia and Garain, Samiran and Rouissi, Zied and Schmeißer, Dieter}, title = {Comparison of plasma-enhanced atomic layer deposition AlN films prepared with different plasma sources}, series = {Journal of Vacuum Science and Technology A}, volume = {37}, journal = {Journal of Vacuum Science and Technology A}, number = {2}, issn = {0734-2101}, doi = {10.1116/1.5079628}, pages = {11}, abstract = {A comparative study of thin aluminum nitride (AlN) films deposited by plasma-enhanced atomic layer deposition in the SENTECH SI ALD LL system applying either a direct inductively coupled plasma (ICP) or an indirect capacitively coupled plasma (CCP) source is presented. The films prepared with the ICP source (based on a planar triple spiral antenna) exhibit improved properties concerning the growth rate per cycle, total cycle duration, homogeneity, refractive index, fixed and mobile electrical charges, and residual oxygen content compared to the CCP source, where the comparison is based on the applied plasma power of 200 W. The increase of the plasma power to 600 W in the ICP process significantly reduces the residual oxygen content and enhances the electrical breakdown field. The AlN layers grown under these conditions, with a growth rate per cycle of 1.54 {\AA}/cycle, contain residual oxygen and carbon concentrations of about 10\% and 4\%, respectively, and possess a refractive index of 2.07 (at 632.8 nm).}, language = {en} } @misc{KotwicaDomaradzkiWojcieszaketal., author = {Kotwica, Tomasz and Domaradzki, Jarosław and Wojcieszak, Damian and Sikora, Andrzej and Kot, Małgorzata and Schmeißer, Dieter}, title = {Analysis of surface properties of Ti-Cu-Ox gradient thin films using AFM and XPS investigations}, series = {Materials Science-Poland}, volume = {36}, journal = {Materials Science-Poland}, number = {4}, issn = {0137-1339}, doi = {10.2478/msp-2018-0100}, pages = {761 -- 768}, abstract = {The paper presents results of investigations on surface properties of transparent semiconducting thin films based on (Ti-Cu)oxide system prepared using multi-magnetron sputtering system. The thin films were prepared using two programmed profiles of pulse widt hmodulation coefficient, so called V- and U-shape profiles. The applied powering profiles allowed fabrication of thin films with gradient distribution of Ti and Cu elements over the thickness of deposited layers. Optical investigations allowed determination of transparency of prepared films that reached up to 60 \% in the visible part of optical radiation, which makes them attractive for the transparent electronics domain. Surface properties investigations showed that the surface of mixed (Ti-Cu)oxides was sensitive to adsorption, in particular to carbon dioxide and water vapor. Soft etching with argon ions resulted in surface cleaning from residuals, however, deoxidation of Cu-oxide components was also observed.}, language = {en} } @misc{LuchesGasperiSauerbreyetal., author = {Luches, Paola and Gasperi, Gabriele and Sauerbrey, Marc and Valeri, Sergio and Falta, Jens and Flege, Jan Ingo}, title = {Dynamics of the Interaction Between Ceria and Platinum During Redox Processes}, series = {Frontiers in Chemistry}, volume = {7}, journal = {Frontiers in Chemistry}, issn = {2296-2646}, doi = {10.3389/fchem.2019.00057}, pages = {11}, abstract = {The work is focused on understanding the dynamics of the processes which occur at the interface between ceria and platinum during redox processes, by investigating an inverse catalytic model system made of ceria epitaxial islands and ultrathin films supported on Pt(111). The evolution of the morphology, structure and electronic properties is analyzed in real-time during reduction and oxidation, using low-energy electron microscopy and spatially resolved low-energy electron diffraction. The reduction is induced using different methods, namely thermal treatments in ultra-high vacuum and in H2 as well as deposition of Ce on the oxide surface, while re-oxidation is obtained by exposure to oxygen at elevated temperature. The use of two different epitaxial systems, continuous films and nanostructures, allows determining the influence of platinum proximity on the stabilization of the specific phases observed. The factors that limit the reversibility of the observed modifications with the different oxidation treatments are also discussed. The obtained results highlight important aspects of the cerium oxide/Pt interaction that are relevant for a complete understanding of the behavior of Pt/CeO2 catalysts.}, language = {en} } @misc{SchmidtAhrensFlegeetal., author = {Schmidt, Thomas and Ahrens, Christian and Flege, Jan Ingo and Jaye, Cherno and Fischer, Daniel A. and Falta, Jens}, title = {Growth of Epitaxial 3,4,9,10-Perylene Tetracarboxylic Dianhydride on Bi-Terminated Silicon}, series = {Journal of Physical Chemistry C}, volume = {123}, journal = {Journal of Physical Chemistry C}, number = {12}, issn = {1932-7447}, doi = {10.1021/acs.jpcc.8b10396}, pages = {7097 -- 7109}, abstract = {The epitaxial quality of thin films crucially depends on their interaction with the substrate. Up to now, Ag-terminated Si(111) has been employed as the model substrate for the growth of 3,4,9,10-perylene tetracarboxylic dianhydride (PTCDA) on semiconductors. In this study, we will show that Bi termination results in PTCDA films of superior epitaxial quality. We have studied the growth of PTCDA on bismuth-passivated Si(111) in detail by means of spot profile analysis of low-energy electron diffraction (SPA-LEED), X-ray photoemission spectroscopy (XPS), near-edge X-ray absorptionfine structure (NEXAFS), and scanning tunneling microscopy (STM). The XPS results reveal the presence of intact PTCDA molecules on the surface upon adsorption. NEXAFS data indicate the PTCDA molecules being oriented with their molecular plane parallel to the surface. STM shows a very smooth growth front of the PTCDA film, preserving the step structure of the substrate. High-resolution SPA-LEED data demonstrate the presence of a multidomain surface with a rich variety of PTCDA surface structures, which were identified to be most prominently herring-bone polytypes. However, in the monolayer range, quadratic brick-wall structures and a nearly square-like structure as well as a perylene-like structure have also been found. Despite the simultaneous presence of multiple domains, the individual domains show excellent lateral ordering, with larger domain sizes as compared to the case of Ag-terminated Si(111).}, language = {en} } @misc{BussFaltaFlege, author = {Buß, Lars and Falta, Jens and Flege, Jan Ingo}, title = {Intercalation dynamics of sulfur underneath graphene on Ru(0001)}, series = {Verhandlungen der DPG}, journal = {Verhandlungen der DPG}, publisher = {Deutsche Physikalische Gesellschaft}, address = {Bad Honnef}, issn = {0420-0195}, pages = {315 -- 315}, abstract = {It is known that the binding of epitaxially grown graphene to the substrate has a detrimental effect on its electronic properties. This is especially true for the strong binding to various transition metals and particularly ruthenium. However, via intercalation the interlayer coupling can be lifted and its unique electronic properties can be restored. Therefore, we have investigated the interaction of sulfur with single-layer graphene grown on Ru(0001) via surface segregation and CVD of ethylene under UHV conditions with in situ low-energy electron microscopy (LEEM) and micro-diffraction (µLEED). At elevated temperature and under dimethyl disulfide background pressure, we observe that sulfur intercalates through the open edges of the graphene islands. Prolonged exposure to sulfur induces wrinkling of the graphene islands, consistent with substantial relief of tensile strain after successful sulfur insertion underneath the graphene. It can be seen that the intercalation dynamics are both dependent on the temperature during intercalation and the preparation method of the graphene sheets. Furthermore, darkfield imaging and µLEED of the intercalated graphene reveal a graphene induced improved ordering of sulfur underneath.}, language = {en} } @misc{EwertBussMorasetal., author = {Ewert, Moritz and Buß, Lars and Moras, Paolo and Falta, Jens and Flege, Jan Ingo}, title = {Unraveling the growth mechanism of single-domain molybdenum disulfide on Au(111)}, series = {Verhandlungen der DPG}, journal = {Verhandlungen der DPG}, publisher = {Deutsche Physikalische Gesellschaft}, address = {Bad Honnef}, issn = {0420-0195}, pages = {329 -- 329}, abstract = {As a transition metal dichalcogenide single-layer molybdenum disulfide (MoS2) is a heavily investigated system. Due to its direct band gap, the electronic properties of single-layer MoS2 have been subject to several surface science methods. A well-known model system is MoS2 on Au(111). We present in situ low-energy electron microscopy (LEEM) and micro-diffraction (LEED) observations of MoS2 growth on Au(111) at elevated temperature using two distinctly different deposition rates. Our investigations reveal similar but different expansion mechanisms of the MoS2 islands changing a balanced distribution of the two mirror domains towards a single domain distribution. Structural characterization by I(V)-LEEM and investigations of the electronic bandstructure using angle-resolved photoelectron spectroscopy both confirm single-layer nature of the MoS2 islands. We could identify step pushing of the growing MoS2 being responsible for this phenomena.}, language = {en} } @misc{JanowitzSchmeisser, author = {Janowitz, Christoph and Schmeißer, Dieter}, title = {Out-of-plane electronic contributions in Bi-cuprates studied by resonant photoelectron spectroscopy at the Cu 2p edge}, series = {Verhandlungen der DPG}, journal = {Verhandlungen der DPG}, publisher = {Deutsche Physikalische Gesellschaft}, address = {Bad Honnef}, issn = {0420-0195}, pages = {403 -- 403}, abstract = {In high-temperature superconductors with a layered crystal structure out-of-plane contributions are often neglected, while the copper-oxygen planes are commonly considered to dominate the electronic properties around the Fermi energy. Here we report on a resonant photoemission study of (Pb,Bi)2201 and (Pb,Bi)2212 single crystals to unravel the resonant decay mechanisms at the Cu 2p absorption edge. We demonstrate a pronounced polarization dependence caused by two different Auger processes for in-plane and out-of-plane orientations. We deduce that the lowest energy valence state being involved in the two Auger processes, consists of three-dimensional contributions by admixed out-of-plane Sr, Bi, and O 2p states. It also suggests that the doping-induced charge density is dynamic, fluctuating within the Cu-O plane, and spills out perpendicular to it. C. Janowitz and D. Schmeißer, Supercond. Sci. Technol. 31, 045006 (2018)}, language = {en} }