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377 Publications
2024 | Journal Article | LibreCat-ID: 54865
Krenz, M., Gerstmann, U., & Schmidt, W. G. (2024). Defect-Assisted Exciton Transfer across the Tetracene-Si(111):H Interface. Physical Review Letters, 132(7), Article 076201. https://doi.org/10.1103/physrevlett.132.076201
LibreCat
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2023 | Journal Article | LibreCat-ID: 49634
Ruiz Alvarado, I. A., Zare Pour, M. A., Hannappel, T., & Schmidt, W. G. (2023). Structural fingerprints in the reflectance anisotropy of AlInP(001). Physical Review B, 108(4), Article 045410. https://doi.org/10.1103/physrevb.108.045410
LibreCat
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2023 | Journal Article | LibreCat-ID: 54852
Neufeld, S., Gerstmann, U., Padberg, L., Eigner, C., Berth, G., Silberhorn, C., Eng, L. M., Schmidt, W. G., & Rüsing, M. (2023). Vibrational Properties of the Potassium Titanyl Phosphate Crystal Family. Crystals, 13(10), Article 1423. https://doi.org/10.3390/cryst13101423
LibreCat
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2023 | Journal Article | LibreCat-ID: 54854
Bocchini, A., Xie, Y., Schmidt, W. G., & Gerstmann, U. (2023). Structural and Electrochemical Properties of F-Doped RbTiOPO4 (RTP:F) Predicted from First Principles. Crystals, 14(1), Article 5. https://doi.org/10.3390/cryst14010005
LibreCat
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2023 | Journal Article | LibreCat-ID: 54853
Murzakhanov, F. F., Sadovnikova, M. A., Mamin, G. V., Nagalyuk, S. S., von Bardeleben, H. J., Schmidt, W. G., Biktagirov, T., Gerstmann, U., & Soltamov, V. A. (2023). 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, 134(12). https://doi.org/10.1063/5.0170099
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2023 | Journal Article | LibreCat-ID: 54851
Rosenthal, M., Biktagirov, T., Schmidt, W. G., & Wilhelm, R. (2023). Synthesis of new graphene oxide/TiO2 and TiO2/SiO2 nanocomposites and their evaluation as photocatalysts. Catalysis Science & Technology, 13(15), 4367–4377. https://doi.org/10.1039/d3cy00461a
LibreCat
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2023 | Journal Article | LibreCat-ID: 54850
Meier, L., & Schmidt, W. G. (2023). Adsorption of Cyclic (Alkyl) (Amino) Carbenes on Monohydride Si(001) Surfaces: Interface Bonding and Electronic Properties. The Journal of Physical Chemistry C, 127(4), 1973–1980. https://doi.org/10.1021/acs.jpcc.2c07316
LibreCat
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2023 | Journal Article | LibreCat-ID: 43827 | 
Meier, A., Badalov, S., Biktagirov, T., Schmidt, W. G., & Wilhelm, R. (2023). Diquat Based Dyes: A New Class of Photoredox Catalysts and Their Use in Aerobic Thiocyanation. Chemistry – A European Journal, 29(22), e202203541. https://doi.org/10.1002/chem.202203541
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2023 | Conference Paper | LibreCat-ID: 61362
Eigner, C., Padberg, L., Quiring, V., Bocchini, A., Santandrea, M., Gerstmann, U., Schmidt, W. G., & Silberhorn, C. (2023). Potassium Titanyl Phosphate Material Engineering Boosting Integrated Optical Source Performance. CLEO 2023. https://doi.org/10.1364/cleo_at.2023.jw2a.57
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2023 | Book Chapter | LibreCat-ID: 61360
Hajduk, A., Zare Pour, M. A., Paszuk, A., Guidat, M., Löw, M., Ullmann, F., Moritz, D. C., Hofmann, J. P., Krischok, S., Runge, E., Schmidt, W. G., Jaegermann, W., May, M. M., & Hannappel, T. (2023). (Photo-)electrochemical reactions on semiconductor surfaces, part B: III-V surfaces–atomic and electronic structure. In Encyclopedia of Solid-Liquid Interfaces. Elsevier. https://doi.org/10.1016/b978-0-323-85669-0.00113-6
LibreCat
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2022 | Journal Article | LibreCat-ID: 54849
Kozub, A. L., Gerstmann, U., & Schmidt, W. G. (2022). Third‐Order Susceptibility of Lithium Niobate: Influence of Polarons and Bipolarons. Physica Status Solidi (b), 260(2). https://doi.org/10.1002/pssb.202200453
LibreCat
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2022 | Journal Article | LibreCat-ID: 37711
Krenz, M., Gerstmann, U., & Schmidt, W. G. (2022). Bound polaron formation in lithium niobate from ab initio molecular dynamics. Applied Physics A, 128, 480. https://doi.org/10.1007/s00339-022-05577-y
LibreCat
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2022 | Journal Article | LibreCat-ID: 33484 |
Padberg, L., Quiring, V., Bocchini, A., Santandrea, M., Gerstmann, U., Schmidt, W. G., Silberhorn, C., & Eigner, C. (2022). DC Ionic Conductivity in KTP and Its Isomorphs: Properties, Methods for Suppression, and Its Connection to Gray Tracking. Crystals, 12, 1359. https://doi.org/10.3390/cryst12101359
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2022 | Journal Article | LibreCat-ID: 26627 |
Neufeld, S., Schindlmayr, A., & Schmidt, W. G. (2022). Quasiparticle energies and optical response of RbTiOPO4 and KTiOAsO4. Journal of Physics: Materials, 5(1), Article 015002. https://doi.org/10.1088/2515-7639/ac3384
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2022 | Journal Article | LibreCat-ID: 37656
Glahn, L. J., Ruiz Alvarado, I. A., Neufeld, S., Zare Pour, M. A., Paszuk, A., Ostheimer, D., Shekarabi, S., Romanyuk, O., Moritz, D. C., Hofmann, J. P., Jaegermann, W., Hannappel, T., & Schmidt, W. G. (2022). Clean and Hydrogen‐Adsorbed AlInP(001) Surfaces: Structures and Electronic Properties. Physica Status Solidi (b), 259(11), Article 2200308. https://doi.org/10.1002/pssb.202200308
LibreCat
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2022 | Journal Article | LibreCat-ID: 37710
Ruiz Alvarado, I. A., & Schmidt, W. G. (2022). Water/InP(001) from Density Functional Theory. ACS Omega, 7(23), 19355–19364. https://doi.org/10.1021/acsomega.2c00948
LibreCat
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2022 | Journal Article | LibreCat-ID: 37681
Moritz, D. C., Ruiz Alvarado, I. A., Zare Pour, M. A., Paszuk, A., Frieß, T., Runge, E., Hofmann, J. P., Hannappel, T., Schmidt, W. G., & Jaegermann, W. (2022). P-Terminated InP (001) Surfaces: Surface Band Bending and Reactivity to Water. ACS Applied Materials & Interfaces, 14(41), 47255–47261. https://doi.org/10.1021/acsami.2c13352
LibreCat
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2022 | Journal Article | LibreCat-ID: 37714
Karmo, M., Ruiz Alvarado, I. A., Schmidt, W. G., & Runge, E. (2022). Reconstructions of the As-Terminated GaAs(001) Surface Exposed to Atomic Hydrogen. ACS Omega, 7(6), 5064–5068. https://doi.org/10.1021/acsomega.1c06019
LibreCat
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2022 | Journal Article | LibreCat-ID: 33965 |
Bocchini, A., Gerstmann, U., Bartley, T., Steinrück, H.-G., Henkel, G., & Schmidt, W. G. (2022). Electrochemical performance of KTiOAsO_4 (KTA) in potassium-ion batteries from density-functional theory. Phys. Rev. Materials, 6, 105401. https://doi.org/10.1103/PhysRevMaterials.6.105401
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2022 | Journal Article | LibreCat-ID: 31254
Bocchini, A., Gerstmann, U., & Schmidt, W. G. (2022). Oxygen vacancies in KTiOPO_4: Optical absorption from hybrid DFT. Phys. Rev. B, 105, 205118. https://doi.org/10.1103/PhysRevB.105.205118
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