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376 Publications
2024 | Journal Article | LibreCat-ID: 54865
Krenz M, Gerstmann U, Schmidt WG. Defect-Assisted Exciton Transfer across the Tetracene-Si(111):H Interface. Physical Review Letters. 2024;132(7). doi:10.1103/physrevlett.132.076201
LibreCat
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2023 | Journal Article | LibreCat-ID: 49634
Ruiz Alvarado IA, Zare Pour MA, Hannappel T, Schmidt WG. Structural fingerprints in the reflectance anisotropy of AlInP(001). Physical Review B. 2023;108(4). doi:10.1103/physrevb.108.045410
LibreCat
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2023 | Journal Article | LibreCat-ID: 54852
Neufeld S, Gerstmann U, Padberg L, et al. Vibrational Properties of the Potassium Titanyl Phosphate Crystal Family. Crystals. 2023;13(10). doi:10.3390/cryst13101423
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2023 | Journal Article | LibreCat-ID: 54854
Bocchini A, Xie Y, Schmidt WG, Gerstmann U. Structural and Electrochemical Properties of F-Doped RbTiOPO4 (RTP:F) Predicted from First Principles. Crystals. 2023;14(1). doi:10.3390/cryst14010005
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2023 | Journal Article | LibreCat-ID: 54853
Murzakhanov FF, Sadovnikova MA, Mamin GV, et al. 14N Hyperfine and nuclear interactions of axial and basal NV centers in 4H-SiC: A high frequency (94 GHz) ENDOR study. Journal of Applied Physics. 2023;134(12). doi:10.1063/5.0170099
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2023 | Journal Article | LibreCat-ID: 54851
Rosenthal M, Biktagirov T, Schmidt WG, Wilhelm R. Synthesis of new graphene oxide/TiO2 and TiO2/SiO2 nanocomposites and their evaluation as photocatalysts. Catalysis Science & Technology. 2023;13(15):4367-4377. doi:10.1039/d3cy00461a
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2023 | Journal Article | LibreCat-ID: 54850
Meier L, Schmidt WG. Adsorption of Cyclic (Alkyl) (Amino) Carbenes on Monohydride Si(001) Surfaces: Interface Bonding and Electronic Properties. The Journal of Physical Chemistry C. 2023;127(4):1973-1980. doi:10.1021/acs.jpcc.2c07316
LibreCat
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2023 | Journal Article | LibreCat-ID: 43827 | 
Meier A, Badalov S, Biktagirov T, Schmidt WG, Wilhelm R. Diquat Based Dyes: A New Class of Photoredox Catalysts and Their Use in Aerobic Thiocyanation. Chemistry – A European Journal. 2023;29(22):e202203541. doi:10.1002/chem.202203541
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2023 | Conference Paper | LibreCat-ID: 61362
Eigner C, Padberg L, Quiring V, et al. Potassium Titanyl Phosphate Material Engineering Boosting Integrated Optical Source Performance. In: CLEO 2023. Optica Publishing Group; 2023. doi:10.1364/cleo_at.2023.jw2a.57
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2023 | Book Chapter | LibreCat-ID: 61360
Hajduk A, Zare Pour MA, Paszuk A, et al. (Photo-)electrochemical reactions on semiconductor surfaces, part B: III-V surfaces–atomic and electronic structure. In: Encyclopedia of Solid-Liquid Interfaces. Elsevier; 2023. doi:10.1016/b978-0-323-85669-0.00113-6
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2022 | Journal Article | LibreCat-ID: 54849
Kozub AL, Gerstmann U, Schmidt WG. Third‐Order Susceptibility of Lithium Niobate: Influence of Polarons and Bipolarons. physica status solidi (b). 2022;260(2). doi:10.1002/pssb.202200453
LibreCat
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2022 | Journal Article | LibreCat-ID: 37711
Krenz M, Gerstmann U, Schmidt WG. Bound polaron formation in lithium niobate from ab initio molecular dynamics. Applied Physics A. 2022;128:480. doi:10.1007/s00339-022-05577-y
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2022 | Journal Article | LibreCat-ID: 33484 |
Padberg L, Quiring V, Bocchini A, et al. DC Ionic Conductivity in KTP and Its Isomorphs: Properties, Methods for Suppression, and Its Connection to Gray Tracking. Crystals. 2022;12:1359. doi:10.3390/cryst12101359
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2022 | Journal Article | LibreCat-ID: 26627 |
Neufeld S, Schindlmayr A, Schmidt WG. Quasiparticle energies and optical response of RbTiOPO4 and KTiOAsO4. Journal of Physics: Materials. 2022;5(1). doi:10.1088/2515-7639/ac3384
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2022 | Journal Article | LibreCat-ID: 37656
Glahn LJ, Ruiz Alvarado IA, Neufeld S, et al. Clean and Hydrogen‐Adsorbed AlInP(001) Surfaces: Structures and Electronic Properties. physica status solidi (b). 2022;259(11). doi:10.1002/pssb.202200308
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2022 | Journal Article | LibreCat-ID: 37710
Ruiz Alvarado IA, Schmidt WG. Water/InP(001) from Density Functional Theory. ACS Omega. 2022;7(23):19355-19364. doi:10.1021/acsomega.2c00948
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2022 | Journal Article | LibreCat-ID: 37681
Moritz DC, Ruiz Alvarado IA, Zare Pour MA, et al. P-Terminated InP (001) Surfaces: Surface Band Bending and Reactivity to Water. ACS Applied Materials & Interfaces. 2022;14(41):47255-47261. doi:10.1021/acsami.2c13352
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2022 | Journal Article | LibreCat-ID: 37714
Karmo M, Ruiz Alvarado IA, Schmidt WG, Runge E. Reconstructions of the As-Terminated GaAs(001) Surface Exposed to Atomic Hydrogen. ACS Omega. 2022;7(6):5064-5068. doi:10.1021/acsomega.1c06019
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2022 | Journal Article | LibreCat-ID: 33965 |
Bocchini A, Gerstmann U, Bartley T, Steinrück H-G, Henkel G, Schmidt WG. Electrochemical performance of KTiOAsO_4 (KTA) in potassium-ion batteries from density-functional theory. Phys Rev Materials. 2022;6:105401. doi:10.1103/PhysRevMaterials.6.105401
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2022 | Journal Article | LibreCat-ID: 31254
Bocchini A, Gerstmann U, Schmidt WG. Oxygen vacancies in KTiOPO_4: Optical absorption from hybrid DFT. Phys Rev B. 2022;105:205118. doi:10.1103/PhysRevB.105.205118
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