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Full-Text Articles in Engineering

Using The Inelastic Background In Hard X-Ray Photoelectron Spectroscopy For A Depth-Resolved Analysis Of The Cds / Cu(In,Ga)Se < Inf > 2 < / Inf > Interface, Dirk Hauschild, Ralph Steininger, Dimitrios Hariskos, Wolfram Witte, Sven Tougaard, Clemens Heske, Lothar Weinhardt Dec 2021

Using The Inelastic Background In Hard X-Ray Photoelectron Spectroscopy For A Depth-Resolved Analysis Of The Cds / Cu(In,Ga)Se < Inf > 2 < / Inf > Interface, Dirk Hauschild, Ralph Steininger, Dimitrios Hariskos, Wolfram Witte, Sven Tougaard, Clemens Heske, Lothar Weinhardt

Chemistry and Biochemistry Faculty Research

The inelastic background of hard x-ray photoelectron spectroscopy data is analyzed to paint a depth-resolved picture of the CdS/Cu(In,Ga)Se2 (CdS/CIGSe) layer structure. The CdS/CIGSe interface is the central component in next-generation chalcopyrite thin-film photovoltaic devices. By analyzing both, the (unscattered) core-level peaks and the inelastic background, and by varying the excitation photon energy from 2.1 up to 14 keV, we can derive photoemission information over a broad range of electron kinetic energies and, hence, sampling depths. With this complementary information, the CdS film thickness of a CdS/CIGSe interface can be accurately determined as a function of the CdS deposition time. …


Coupling Methylammonium And Formamidinium Cations With Halide Anions: Hybrid Orbitals, Hydrogen Bonding, And The Role Of Dynamics, Chinnathambi Kamal, Dirk Hauschild, Linsey Seitz, Ralph Steininger, Wanli Yang, Clemens Heske, Lothar Weinhardt, Michael Odelius Nov 2021

Coupling Methylammonium And Formamidinium Cations With Halide Anions: Hybrid Orbitals, Hydrogen Bonding, And The Role Of Dynamics, Chinnathambi Kamal, Dirk Hauschild, Linsey Seitz, Ralph Steininger, Wanli Yang, Clemens Heske, Lothar Weinhardt, Michael Odelius

Chemistry and Biochemistry Faculty Research

The electronic structures of four precursors for organic-inorganic hybrid perovskites, namely, methylammonium chloride and iodide, as well as formamidinium bromide and iodide, are investigated by X-ray emission (XE) spectroscopy at the carbon and nitrogen K-edges. The XE spectra are analyzed based on density functional theory calculations. We simulate the XE spectra at the Kohn-Sham level for ground-state geometries and carry out detailed analyses of the molecular orbitals and the electronic density of states to give a thorough understanding of the spectra. Major parts of the spectra can be described by the model of the corresponding isolated organic cation, whereas high-emission …


Aerobic Copper-Promoted Oxidative Dehydrosulfurative Carbon-Oxygen Cross-Coupling Of 3,4-Dihydropyrimidine-1: H -2-Thiones With Alcohols, Jihong Lee, Yujeong Kwon, Dong-Chan Lee, Jeong Hun Sohn Nov 2021

Aerobic Copper-Promoted Oxidative Dehydrosulfurative Carbon-Oxygen Cross-Coupling Of 3,4-Dihydropyrimidine-1: H -2-Thiones With Alcohols, Jihong Lee, Yujeong Kwon, Dong-Chan Lee, Jeong Hun Sohn

Chemistry and Biochemistry Faculty Research

An aerobic Cu-promoted oxidative dehydrosulfurative carbon-oxygen cross-coupling of 3,4-dihydropyrimidin-1H-2-thiones (DHPMs) with both aliphatic and aromatic alcohols is described. Together with the ready availability of DHPMs and both alcohols, the method furnishes facile access to biologically valuable 2-alkoxypyrimidines with rapid diversification.