@articleMeier_Badalov_Biktagirov_Schmidt_Wilhelm_2023, title=Diquat Based Dyes: A New Class of Photoredox Catalysts and Their Use in Aerobic Thiocyanation, volume=29, DOI=10.1002/chem.202203541, number=22, journal=Chemistry – A European Journal, publisher=Wiley, author=Meier, Armin and Badalov, Sabuhi and Biktagirov, Timur and Schmidt, Wolf Gero and Wilhelm, René, year=2023, pages=e202203541 

@articleBadalov_Bocchini_Wilhelm_Kozub_Gerstmann_Schmidt, title=Rutile, anatase, brookite and titania thin film from Hubbard corrected and hybrid DFT, DOI=10.1088/2053-1591/ace0fa, journal=Materials Research Express, publisher=IOP Publishing, author=Badalov, Sabuhi and Bocchini, Adriana and Wilhelm, Rene and Kozub, A. L. and Gerstmann, Uwe and Schmidt, Wolf Gero 

@articleNeufeld_Gerstmann_Padberg_Eigner_Berth_Silberhorn_Eng_Schmidt_Rüsing_2023, title=Vibrational Properties of the Potassium Titanyl Phosphate Crystal Family, volume=13, DOI=10.3390/cryst13101423, number=101423, journal=Crystals, publisher=MDPI AG, author=Neufeld, Sergej and Gerstmann, Uwe and Padberg, Laura and Eigner, Christof and Berth, Gerhard and Silberhorn, Christine and Eng, Lukas M. and Schmidt, Wolf Gero and Rüsing, Michael, year=2023 

@articleRuiz Alvarado_Zare Pour_Hannappel_Schmidt_2023, title=Structural fingerprints in the reflectance anisotropy of AlInP(001), volume=108, DOI=10.1103/physrevb.108.045410, number=4045410, journal=Physical Review B, publisher=American Physical Society (APS), author=Ruiz Alvarado, Isaac Azahel and Zare Pour, Mohammad Amin and Hannappel, Thomas and Schmidt, Wolf Gero, year=2023 

@inbookSchmidt_Kozub_Gerstmann_Schmidt_Schindlmayr_2022, place=Basel, title=Electron polarons in lithium niobate: Charge localization, lattice deformation, and optical response, DOI=10.3390/books978-3-0365-3339-1, booktitle=New Trends in Lithium Niobate: From Bulk to Nanocrystals, publisher=MDPI, author=Schmidt, Falko and Kozub, Agnieszka L. and Gerstmann, Uwe and Schmidt, Wolf Gero and Schindlmayr, Arno, editor=Corradi, Gábor and Kovács, László, year=2022, pages=231–248 

@articleKrenz_Gerstmann_Schmidt_2022, title=Bound polaron formation in lithium niobate from ab initio molecular dynamics, volume=128, DOI=10.1007/s00339-022-05577-y, journal=Applied Physics A, publisher=Springer Science and Business Media LLC, author=Krenz, Marvin and Gerstmann, Uwe and Schmidt, Wolf Gero, year=2022, pages=480 

@articlePadberg_Quiring_Bocchini_Santandrea_Gerstmann_Schmidt_Silberhorn_Eigner_2022, title=DC Ionic Conductivity in KTP and Its Isomorphs: Properties, Methods for Suppression, and Its Connection to Gray Tracking, volume=12, DOI=10.3390/cryst12101359, journal=Crystals, author=Padberg, Laura and Quiring, Viktor and Bocchini, Adriana and Santandrea, Matteo and Gerstmann, Uwe and Schmidt, Wolf Gero and Silberhorn, Christine and Eigner, Christof, year=2022, pages=1359 

@articleNeufeld_Schindlmayr_Schmidt_2022, title=Quasiparticle energies and optical response of RbTiOPO4 and KTiOAsO4, volume=5, DOI=10.1088/2515-7639/ac3384, number=1015002, journal=Journal of Physics: Materials, publisher=IOP Publishing, author=Neufeld, Sergej and Schindlmayr, Arno and Schmidt, Wolf Gero, year=2022 

@articleGlahn_Ruiz Alvarado_Neufeld_Zare Pour_Paszuk_Ostheimer_Shekarabi_Romanyuk_Moritz_Hofmann_et al._2022, title=Clean and HydrogenAdsorbed AlInP(001) Surfaces: Structures and Electronic Properties, volume=259, DOI=10.1002/pssb.202200308, number=112200308, journal=physica status solidi (b), publisher=Wiley, author=Glahn, Luis Joel and Ruiz Alvarado, Isaac Azahel and Neufeld, Sergej and Zare Pour, Mohammad Amin and Paszuk, Agnieszka and Ostheimer, David and Shekarabi, Sahar and Romanyuk, Oleksandr and Moritz, Dominik Christian and Hofmann, Jan Philipp and et al., year=2022 

@articleRuiz Alvarado_Schmidt_2022, title=Water/InP(001) from Density Functional Theory, volume=7, DOI=10.1021/acsomega.2c00948, number=23, journal=ACS Omega, publisher=American Chemical Society (ACS), author=Ruiz Alvarado, Isaac Azahel and Schmidt, Wolf Gero, year=2022, pages=19355–19364 

@articleMoritz_Ruiz Alvarado_Zare Pour_Paszuk_Frieß_Runge_Hofmann_Hannappel_Schmidt_Jaegermann_2022, title=P-Terminated InP(001) Surfaces: Surface Band Bending and Reactivity to Water, volume=14, DOI=10.1021/acsami.2c13352, number=41, journal=ACS Applied Materials &;amp; Interfaces, publisher=American Chemical Society (ACS), author=Moritz, Dominik Christian and Ruiz Alvarado, Isaac Azahel and Zare Pour, Mohammad Amin and Paszuk, Agnieszka and Frieß, Tilo and Runge, Erich and Hofmann, Jan P. and Hannappel, Thomas and Schmidt, Wolf Gero and Jaegermann, Wolfram, year=2022, pages=47255–47261 

@articleKarmo_Ruiz Alvarado_Schmidt_Runge_2022, title=Reconstructions of the As-Terminated GaAs(001) Surface Exposed to Atomic Hydrogen, volume=7, DOI=10.1021/acsomega.1c06019, number=6, journal=ACS Omega, publisher=American Chemical Society (ACS), author=Karmo, Marsel and Ruiz Alvarado, Isaac Azahel and Schmidt, Wolf Gero and Runge, Erich, year=2022, pages=5064–5068 

@articleMurzakhanov_Mamin_Orlinskii_Gerstmann_Schmidt_Biktagirov_Aharonovich_Gottscholl_Sperlich_Dyakonov_et al._2022, title=Electron–Nuclear Coherent Coupling and Nuclear Spin Readout through Optically Polarized V<sub>B</sub><sup>–</sup> Spin States in hBN, volume=22, DOI=10.1021/acs.nanolett.1c04610, number=7, journal=Nano Letters, publisher=American Chemical Society (ACS), author=Murzakhanov, Fadis F. and Mamin, Georgy Vladimirovich and Orlinskii, Sergei Borisovich and Gerstmann, Uwe and Schmidt, Wolf Gero and Biktagirov, Timur and Aharonovich, Igor and Gottscholl, Andreas and Sperlich, Andreas and Dyakonov, Vladimir and et al., year=2022, pages=2718–2724 

@articleBocchini_Gerstmann_Bartley_Steinrück_Henkel_Schmidt_2022, title=Electrochemical performance of KTiOAsO_4 (KTA) in potassium-ion batteries from density-functional theory, volume=6, DOI=10.1103/PhysRevMaterials.6.105401, journal=Phys. Rev. Materials, publisher=American Physical Society, author=Bocchini, Adriana and Gerstmann, Uwe and Bartley, Tim and Steinrück, Hans-Georg and Henkel, Gerald and Schmidt, Wolf Gero, year=2022, pages=105401 

@articleBocchini_Gerstmann_Schmidt_2022, title=Oxygen vacancies in KTiOPO_4: Optical absorption from hybrid DFT, volume=105, DOI=10.1103/PhysRevB.105.205118, journal=Phys. Rev. B, publisher=American Physical Society, author=Bocchini, Adriana and Gerstmann, Uwe and Schmidt, Wolf Gero, year=2022, pages=205118 

@articleSchmidt_Kozub_Gerstmann_Schmidt_Schindlmayr_2022, title=A density-functional theory study of hole and defect-bound exciton polarons in lithium niobate, volume=12, DOI=10.3390/cryst12111586, number=111586, journal=Crystals, publisher=MDPI AG, author=Schmidt, Falko and Kozub, Agnieszka L. and Gerstmann, Uwe and Schmidt, Wolf Gero and Schindlmayr, Arno, year=2022 

@articleJurgen von Bardeleben_Cantin_Gerstmann_Schmidt_Biktagirov_2021, title=Spin Polarization, Electron–Phonon Coupling, and Zero-Phonon Line of the NV Center in 3C-SiC, volume=21, DOI=10.1021/acs.nanolett.1c02564, number=19, journal=Nano Letters, publisher=American Chemical Society (ACS), author=Jurgen von Bardeleben, Hans and Cantin, Jean-Louis and Gerstmann, Uwe and Schmidt, Wolf Gero and Biktagirov, Timur, year=2021, pages=8119–8125 

@articleJain_Gerstmann_Schmidt_Aldahhak_2021, title=Adatom mediated adsorption of            &;scp&;Nheterocyclic&;/scp&;            carbenes on Cu(111) and Au(111), volume=43, DOI=10.1002/jcc.26801, number=6, journal=Journal of Computational Chemistry, publisher=Wiley, author=Jain, Mitisha and Gerstmann, Uwe and Schmidt, Wolf Gero and Aldahhak, Hazem, year=2021, pages=413–420 

@articleSchmidt_Kozub_Gerstmann_Schmidt_Schindlmayr_2021, title=Electron polarons in lithium niobate: Charge localization, lattice deformation, and optical response, volume=11, DOI=10.3390/cryst11050542, journal=Crystals, publisher=MDPI, author=Schmidt, Falko and Kozub, Agnieszka L. and Gerstmann, Uwe and Schmidt, Wolf Gero and Schindlmayr, Arno, year=2021, pages=542 

@articleAldahhak_Hogan_Lindner_Appelfeller_Eisele_Schmidt_Dähne_Gerstmann_Franz_2021, title=Electronic structure of the Si(111)3×3B surface from theory and photoemission spectroscopy, volume=103, DOI=10.1103/physrevb.103.035303, journal=Physical Review B, author=Aldahhak, Hazem and Hogan, Conor and Lindner, Susi and Appelfeller, Stephan and Eisele, Holger and Schmidt, Wolf Gero and Dähne, Mario and Gerstmann, Uwe and Franz, Martin, year=2021, pages=035303