Holger-Dietrich Sa▀nick
Holger-Dietrich Sa▀nick
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Electronic structure of cesium-based photocathode materials from density functional theory: Performance of PBE, SCAN, and HSE06 functionals
HD Sa▀nick, C Cocchi
Electronic Structure 3 (2), 027001, 2021
Electronic structure and optical properties of Na2KSb and NaK2Sb from first-principles many-body theory
R Amador, HD Sa▀nick, C Cocchi
Journal of Physics: Condensed Matter 33 (36), 365502, 2021
Exploring cesium–tellurium phase space via high-throughput calculations beyond semi-local density-functional theory
HD Sa▀nick, C Cocchi
The Journal of Chemical Physics 156 (10), 2022
Ab initio quantum-mechanical predictions of semiconducting photocathode materials
C Cocchi, HD Sa▀nick
Micromachines 12 (9), 1002, 2021
How the hydroxylation state of the (110)-rutile TiO 2 surface governs its electric double layer properties
S Groh, H Sa▀nick, VG Ruiz, J Dzubiella
Physical Chemistry Chemical Physics 23 (27), 14770-14782, 2021
Effects of Ligand Substituents on the Character of Zn-Coordination in Zeolitic Imidazolate Frameworks
J Edzards, HD Sa▀nick, AG Buzanich, AM Valencia, F Emmerling, ...
The Journal of Physical Chemistry C 127 (43), 21456-21464, 2023
Electronic Structure and Core Spectroscopy of Scandium Fluoride Polymorphs
F Machado Ferreira de Araujo, D Duarte-Ruiz, HD Sa▀nick, ...
Inorganic Chemistry 62 (10), 4238-4247, 2023
Stability and electronic properties of surface facets
R Schier, HD Sa▀nick, C Cocchi
Physical Review Materials 6 (12), 125001, 2022
Impact of Ligand Substitution and Metal Node Exchange in the Electronic Properties of Scandium Terephthalate Frameworks
HD Sa▀nick, F Machado Ferreira De Araujo, J Edzards, C Cocchi
Inorganic Chemistry 63 (4), 2098-2108, 2024
Thermodynamic stability and vibrational properties of multi-alkali antimonides
J Santana-Andreo, HD Sa▀nick, C Cocchi
arXiv preprint arXiv:2402.16614, 2024
Automated analysis of surface facets: the example of cesium telluride
HD Sa▀nick, C Cocchi
npj Computational Materials 10 (1), 38, 2024
Tuning Structural and Electronic Properties of Metal-Organic Framework 5 by Metal Substitution and Linker Functionalization
J Edzards, HD Sa▀nick, JS Andreo, C Cocchi
arXiv preprint arXiv:2402.07733, 2024
Spin-and Photophysics of the Nitrogen-Vacancy Center in SiC Using an Improved CI-cRPA Method
HD Sa▀nick
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