TY - GEN A1 - Meyer, Frank A1 - Weinhardt, Lothar A1 - Blum, Mia A1 - Bär, Marcus A1 - Wilks, Regan G. A1 - Yang, Wooyong A1 - Heske, Clemens A1 - Reinert, F. T1 - Non-equivalent carbon atoms in the resonant inelastic soft X-ray scattering map of cysteine T2 - The journal of chemical physics N2 - Resonant inelastic soft x-ray scattering (RIXS) was used to study the electronic structure of solid cysteine films. A RIXS map approach, i.e., plotting the x-ray emission intensity as a function of excitation and emission energy, allows us to separate the contributions of the three chemically nonequivalent carbon atoms in cysteine. In particular, we can identify orbitals localized near the photoexcited atoms, as well as orbitals that are delocalized over the entire molecule. Y1 - 2013 SN - 1089-7690 VL - 138 IS - 3 SP - 034306 ER - TY - GEN A1 - Bär, Marcus A1 - Klaer, Joachim A1 - Duarte, Roberto Felix A1 - Barreau, Nicolas A1 - Weinhardt, Lothar A1 - Wilks, Regan G. A1 - Heske, Clemens A1 - Schock, Hans-Werner T1 - Surface Off-Stoichiometry of CuInS2 Thin-Film Solar Cell Absorbers T2 - IEEE Journal of Photovoltaics N2 - In this paper, X-ray photoelectron and X-ray-excited Auger electron spectroscopy was used to investigate the chemical surface structure of CuInS2 thin-film solar cell absorbers.We find that the [In]/[Cu] surface composition can vary between 1.6 (±0.4) and 3.7 (±0.7), depending on relatively minor variations in the absorber formation process and/or whether additional wet-chemical treatments are performed. These variations are primarily due to differences in the Cu surface concentration. The corresponding change of the modified In Auger parameter is interpreted as being indicative of a change in the chemical environment of In as a function of Cu off-stoichiometry. Y1 - 2013 UR - https://ieeexplore.ieee.org/stamp/stamp.jsp?arnumber=6380521 SN - 2156-3381 VL - 3 IS - 2 SP - 828 EP - 832 ER - TY - GEN A1 - Hofmann, Timo A1 - Yu, Ted H. A1 - Folse, Michael A1 - Weinhardt, Lothar A1 - Bär, Marcus A1 - Zhang, Yufeng A1 - Merinov, Boris V. A1 - Myers, Deborah J. A1 - Goddard, William A. A1 - Heske, Clemens T1 - Reply to "Comment on 'Using Photoelectron Spectroscopy and Quantum Mechanics to Determine d-Band Energies of Metals for Catalytic Applications'" T2 - Journal of Physical Chemistry : C Y1 - 2013 SN - 1932-7455 VL - 117 IS - 13 SP - 6916 EP - 6917 ER - TY - GEN A1 - Bär, Marcus A1 - Klaer, Joachim A1 - Weinhardt, Lothar A1 - Wilks, Regan G. A1 - Krause, Stefan A1 - Blum, Monika A1 - Yang, Wan Li A1 - Heske, Clemens A1 - Schock, Hans-Werner T1 - Cu 2−x S Surface Phases and Their Impact on the Electronic Structure of CuInS 2 Thin Films – A Hidden Parameter in Solar Cell Optimization T2 - Advanced Energy Materials N2 - The surface properties of CuInS 2 (CIS) thin-fi lm solar cell absorbers are investigated by a combination of electron and soft X-ray spectroscopies. Spatially separated regions of varying colors are observed and identifi ed to be dominated by either CuS or Cu 2 S surface phases. After their removal by KCN etching, the samples cannot be distinguished by eye and the CIS surface is found to be Cu-defi cient in both regions. However, a signifi cantly more pronounced off-stoichiometry in the region initially covered by Cu 2 S can be identifi ed. In this region, the resulting surface band gap is also signifi cantly larger than the E g Surf of the initially CuS-terminated region. Such variations may represent a hidden parameter which, if overlooked, induces irreproducibility and thus prevents systematic optimization efforts. Y1 - 2013 SN - 1614-6840 VL - 3 IS - 6 SP - 777 EP - 781 ER - TY - GEN A1 - Bär, Marcus A1 - Couziniè-Devy, François A1 - Duarte, Roberto Felix A1 - Klaer, Joachim A1 - Pookpanratana, Sujitra A1 - Blum, Monika A1 - Zhang, Yi A1 - Denlinger, Jonathan D. A1 - Yang, Wanli A1 - Wilks, Regan G. A1 - Weinhardt, Lothar A1 - Schock, Hans-Werner A1 - Southerland Kessler, Jude A1 - Heske, Clemens T1 - The Heavily Intermixed In2S3/Cu(In,Ga)Se2 Interface as Revealed by Photoelectron and Soft X-ray Emission Spectroscopy T2 - 2013 IEEE 39th Photovoltaic Specialists Conference, (PVSC 2013), Tampa, Florida, USA, 16 - 21 June 2013 Y1 - 2013 SN - 978-1-4799-3300-6 SN - 978-1-4799-3299-3 U6 - https://doi.org/10.1109/PVSC.2013.6744280 SP - 857 EP - 862 PB - IEEE CY - Piscataway, NJ ER -