TY - GEN A1 - Kot, Małgorzata A1 - Henkel, Karsten A1 - Müller, Klaus A1 - Kegelmann, Lukas A1 - Albrecht, Steve A1 - Tsud, Nataliya A1 - Kús, Peter A1 - Matolinová, Iva A1 - Schmeißer, Dieter T1 - Al2O3-Atomic Layer Deposited Films on CH3NH3PbI3 : Intrinsic Defects and Passivation Mechanisms T2 - Energy Technology , The Journal of Physical Chemistry C N2 - The initial interaction of atomic layer deposited films of Al2O3 at room temperature on CH3NH3PbI3 (MAPI) films is studied. Synchrotron radiation–based photoelectron spectroscopy is applied to analyze the initial changes in the Al-derived features by comparing samples with different Al2O3 film thicknesses. It is found that polarons and excitons, both intrinsic defects of Al2O3, play a key role in the interface formation. The polaronic states uptake a charge from the MAPI substrate. This charge is transferred to and stabilized in the excitonic state of Al2O3 which is assigned to predominately tetrahedral coordinated Al sites. This charge transfer is initiated by vacancies present in the MAPI substrate and stabilizes a covalent bonding at the Al2O3–MAPI interface but also causes a roughening of the interface which may lead to the formation of grain boundaries. On top of the rough interface, 2D Al2O3 clusters with an increasing number of octahedrally coordinated Al—O bonds grow, and with increasing Al2O3 coverage, they introduce self-healing of the structural defects. KW - charge donation and transfer cycles KW - covalent interfaces KW - defect monitoring KW - model of Al2O3–CH3NH3PbI3 interactions KW - resonant photoelectron spectroscopy Y1 - 2019 U6 - https://doi.org/10.1002/ente.201900975 SN - 2194-4288 SN - 2194-4296 VL - 7 IS - 11 ER - TY - CHAP A1 - Henkel, Karsten A1 - Haeberle, Jörg A1 - Müller, Klaus A1 - Janowitz, Christoph A1 - Schmeißer, Dieter ED - Fornari, Robert T1 - Preparation, properties and electronic structure of SnO₂ T2 - Single Crystals of Electronic Materials N2 - 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. KW - electronic structure KW - tin oxide (SnO₂) KW - resonant photoelectron spectroscopy KW - intrinsic defect states Y1 - 2018 SN - 978-0-08-102096-8 SN - 978-0-08-102097-5 SP - 547 EP - 572 PB - Elsevier, Woodhead Publishing CY - Duxford ER - TY - GEN A1 - Schmeißer, Dieter A1 - Henkel, Karsten A1 - Janowitz, Christoph T1 - Ionicity of ZnO - a key system for transparent conductive oxides T2 - epl : a letters journal exploring the frontiers of physics N2 - 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. KW - Ionicity KW - zinc oxide (ZnO) KW - resonant photoelectron spectroscopy KW - defect states KW - transparent conductive oxide (TCO) Y1 - 2018 U6 - https://doi.org/10.1209/0295-5075/123/27003 SN - 1286-4854 SN - 0295-5075 VL - 123 IS - 2 SP - 27003-p1 EP - 27003-p7 ER - TY - CHAP A1 - Henkel, Karsten A1 - Kot, Małgorzata A1 - Schmeißer, Dieter T1 - Localized defect states and charge trapping in Al₂O₃ films prepared by atomic layer deposition T2 - Verhandlungen der Deutschen Physikalischen Gesellschaft N2 - The evaluation of the electronic structure and intrinsic defect mechanisms in Al₂O₃ thin films is essential for their effective use in applications with desired functionality such as surface passivation schemes for solar cells [1]. We present a comparative study of different Al₂O₃ films grown by atomic layer deposition (ALD) [2]. The layers were deposited on different substrates using the same aluminum precursor (TMA, trimethylalumium) and employing different process parameters (thermal-ALD, plasma-enhanced-ALD, substrate temperature). These films were characterized by resonant photoelectron spectroscopy and by electrical measurements (capacitance-voltage). For all films investigated intrinsic defect states within the electronic band gap were observed including excitonic, polaronic, and charge-transfer defect states, where their relative abundance is subject of the choice of ALD parameters and of the used substrate. The spectroscopic assigned in-gap defect states are related with electronic charges as determined in the electrical measurements. [1] G. Dingemans and W.M.M. Kessels, J. Vac. Sci. Technol. A 30, 040802 (2012). [2] K. Henkel, M. Kot, D. Schmeißer, J. Vac. Sci. Technol. A 35, (2017), accepted. KW - defect states KW - Al₂O₃ KW - resonant photoelectron spectroscopy KW - X-Ray absorption spectroscopy KW - capacitance-voltage measurements Y1 - 2017 UR - http://www.dpg-verhandlungen.de/year/2017/conference/dresden/part/ds/session/32/contribution/4 SN - 0420-0195 SP - S. 205 PB - Deutsche Physikalische Gesellschaft CY - Bad Honnef ER -