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357 Publications
2025 | Journal Article | LibreCat-ID: 58642
V. Devaraj et al., “Self-assembly of isolated plasmonic dimers with sub-5 nm gaps on a metallic mirror,” Nanoscale Horizons, vol. 10, pp. 537–548, 2025, doi: 10.1039/d4nh00546e.
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2024 | Journal Article | LibreCat-ID: 54856
K. Franzke, W. G. Schmidt, and U. Gerstmann, “Relativistic calculation of the orbital hyperfine splitting in complex microscopic structures,” Journal of Physics: Conference Series, vol. 2701, no. 1, Art. no. 012094, 2024, doi: 10.1088/1742-6596/2701/1/012094.
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2024 | Journal Article | LibreCat-ID: 54855
R. Sciotto, I. A. Ruiz Alvarado, and W. G. Schmidt, “Substrate Doping and Defect Influence on P-Rich InP(001):H Surface Properties,” Surfaces, vol. 7, no. 1, pp. 79–87, 2024, doi: 10.3390/surfaces7010006.
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2024 | Journal Article | LibreCat-ID: 54867
T. Hannappel et al., “Integration of Multijunction Absorbers and Catalysts for Efficient Solar‐Driven Artificial Leaf Structures: A Physical and Materials Science Perspective,” Solar RRL, vol. 8, no. 11, 2024, doi: 10.1002/solr.202301047.
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2024 | Journal Article | LibreCat-ID: 54869
H. Pfnür et al., “Atomic wires on substrates: Physics between one and two dimensions,” Surface Science Reports, vol. 79, no. 2, Art. no. 100629, 2024, doi: 10.1016/j.surfrep.2024.100629.
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2024 | Journal Article | LibreCat-ID: 54866
J. Diederich et al., “Unraveling Electron Dynamics in p-type Indium Phosphide (100): A Time-Resolved Two-Photon Photoemission Study,” Journal of the American Chemical Society, vol. 146, no. 13, pp. 8949–8960, 2024, doi: 10.1021/jacs.3c12487.
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2024 | Journal Article | LibreCat-ID: 54865
M. Krenz, U. Gerstmann, and W. G. Schmidt, “Defect-Assisted Exciton Transfer across the Tetracene-Si(111):H Interface,” Physical Review Letters, vol. 132, no. 7, Art. no. 076201, 2024, doi: 10.1103/physrevlett.132.076201.
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2024 | Journal Article | LibreCat-ID: 54868
M. Groll et al., “DFT‐Assisted Investigation of the Electric Field and Charge Density Distribution of Pristine and Defective 2D WSe2 by Differential Phase Contrast Imaging,” Small, 2024, doi: 10.1002/smll.202311635.
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2023 | Journal Article | LibreCat-ID: 47997 |

S. Neufeld et al., “Vibrational Properties of the Potassium Titanyl Phosphate Crystal Family,” Crystals, vol. 13, no. 10, Art. no. 1423, 2023, doi: 10.3390/cryst13101423.
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2023 | Journal Article | LibreCat-ID: 49634
I. A. Ruiz Alvarado, M. A. Zare Pour, T. Hannappel, and W. G. Schmidt, “Structural fingerprints in the reflectance anisotropy of AlInP(001),” Physical Review B, vol. 108, no. 4, Art. no. 045410, 2023, doi: 10.1103/physrevb.108.045410.
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2023 | Journal Article | LibreCat-ID: 54852
S. Neufeld et al., “Vibrational Properties of the Potassium Titanyl Phosphate Crystal Family,” Crystals, vol. 13, no. 10, Art. no. 1423, 2023, doi: 10.3390/cryst13101423.
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2023 | Journal Article | LibreCat-ID: 54854
A. Bocchini, Y. Xie, W. G. Schmidt, and U. Gerstmann, “Structural and Electrochemical Properties of F-Doped RbTiOPO4 (RTP:F) Predicted from First Principles,” Crystals, vol. 14, no. 1, Art. no. 5, 2023, doi: 10.3390/cryst14010005.
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2023 | Journal Article | LibreCat-ID: 54853
F. F. Murzakhanov 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, vol. 134, no. 12, 2023, doi: 10.1063/5.0170099.
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2023 | Journal Article | LibreCat-ID: 54851
M. Rosenthal, T. Biktagirov, W. G. Schmidt, and R. Wilhelm, “Synthesis of new graphene oxide/TiO2 and TiO2/SiO2 nanocomposites and their evaluation as photocatalysts,” Catalysis Science & Technology, vol. 13, no. 15, pp. 4367–4377, 2023, doi: 10.1039/d3cy00461a.
LibreCat
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2023 | Journal Article | LibreCat-ID: 54850
L. Meier and W. G. Schmidt, “Adsorption of Cyclic (Alkyl) (Amino) Carbenes on Monohydride Si(001) Surfaces: Interface Bonding and Electronic Properties,” The Journal of Physical Chemistry C, vol. 127, no. 4, pp. 1973–1980, 2023, doi: 10.1021/acs.jpcc.2c07316.
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2023 | Journal Article | LibreCat-ID: 43827 |

A. Meier, S. Badalov, T. Biktagirov, W. G. Schmidt, and R. Wilhelm, “Diquat Based Dyes: A New Class of Photoredox Catalysts and Their Use in Aerobic Thiocyanation,” Chemistry – A European Journal, vol. 29, no. 22, p. e202203541, 2023, doi: 10.1002/chem.202203541.
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2023 | Journal Article | LibreCat-ID: 45764 |

S. Badalov, A. Bocchini, R. Wilhelm, A. L. Kozub, U. Gerstmann, and W. G. Schmidt, “Rutile, anatase, brookite and titania thin film from Hubbard corrected and hybrid DFT,” Materials Research Express, doi: 10.1088/2053-1591/ace0fa.
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2022 | Journal Article | LibreCat-ID: 44088 |

F. Schmidt, A. L. Kozub, U. Gerstmann, W. G. Schmidt, and A. Schindlmayr, “A density-functional theory study of hole and defect-bound exciton polarons in lithium niobate,” Crystals, vol. 12, no. 11, Art. no. 1586, 2022, doi: 10.3390/cryst12111586.
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2022 | Journal Article | LibreCat-ID: 54849
A. L. Kozub, U. Gerstmann, and W. G. Schmidt, “Third‐Order Susceptibility of Lithium Niobate: Influence of Polarons and Bipolarons,” physica status solidi (b), vol. 260, no. 2, 2022, doi: 10.1002/pssb.202200453.
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2022 | Book Chapter | LibreCat-ID: 30288
F. Schmidt, A. L. Kozub, U. Gerstmann, W. G. Schmidt, and A. Schindlmayr, “Electron polarons in lithium niobate: Charge localization, lattice deformation, and optical response,” in New Trends in Lithium Niobate: From Bulk to Nanocrystals, G. Corradi and L. Kovács, Eds. Basel: MDPI, 2022, pp. 231–248.
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