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Exploring cesium-tellurium phase space via high-throughput calculations beyond semi-local density-functional theory

by Saßnick, Holger-Dietrich, Cocchi, Caterina
Published in The Journal of chemical physics (14.03.2022)

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Tuning structural and electronic properties of metal-organic framework 5 by metal substitution and linker functionalization

by Edzards, Joshua, Saßnick, Holger-Dietrich, Andreo, Julia Santana, Cocchi, Caterina
Published in The Journal of chemical physics (14.05.2024)

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Electronic structure and optical properties of Na2KSb and NaK2Sb from first-principles many-body theory

by Amador, Raymond, Saßnick, Holger-Dietrich, Cocchi, Caterina
Published in Journal of physics. Condensed matter (13.07.2021)

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Effects of Ligand Substituents on the Character of Zn-Coordination in Zeolitic Imidazolate Frameworks

by Edzards, Joshua, Saßnick, Holger-Dietrich, Buzanich, Ana Guilherme, Valencia, Ana M., Emmerling, Franziska, Beyer, Sebastian, Cocchi, Caterina
Published in Journal of physical chemistry. C (02.11.2023)

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Impact of Ligand Substitution and Metal Node Exchange in the Electronic Properties of Scandium Terephthalate Frameworks

by Saßnick, Holger-Dietrich, Machado Ferreira De Araujo, Fabiana, Edzards, Joshua, Cocchi, Caterina
Published in Inorganic chemistry (29.01.2024)

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Automated analysis of surface facets: the example of cesium telluride

by Saßnick, Holger-Dietrich, Cocchi, Caterina
Published in npj computational materials (20.02.2024)

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Ab Initio Quantum-Mechanical Predictions of Semiconducting Photocathode Materials

by Cocchi, Caterina, Saßnick, Holger-Dietrich
Published in Micromachines (Basel) (24.08.2021)

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Electronic Structure and Core Spectroscopy of Scandium Fluoride Polymorphs

by Machado Ferreira de Araujo, Fabiana, Duarte-Ruiz, Daniel, Saßnick, Holger-Dietrich, Gentzmann, Marie C., Huthwelker, Thomas, Cocchi, Caterina
Published in Inorganic chemistry (13.03.2023)

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Thermodynamic stability and vibrational properties of multi-alkali antimonides

by Santana-Andreo, Julia, Saßnick, Holger-Dietrich, Cocchi, Caterina
Published in JPhys materials (01.07.2024)

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Exploring the Cs-Te phase space via high-throughput density-functional theory calculations beyond the generalized-gradient approximation

by Holger-Dietrich Saßnick, Cocchi, Caterina
Published in arXiv.org (22.03.2022)

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Electronic Structure of Cesium-based Photocathode Materials from Density Functional Theory: Performance of PBE, SCAN, and HSE06 functionals

by Holger-Dietrich Saßnick, Cocchi, Caterina
Published in arXiv.org (31.05.2021)

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Electronic structure and optical properties of Na 2 KSb and NaK 2 Sb from first-principles many-body theory

by Amador, Raymond, Saßnick, Holger-Dietrich, Cocchi, Caterina
Published in Journal of physics. Condensed matter (08.09.2021)

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Electronic Structure and Core Spectroscopy of Scandium Fluoride Polymorphs

by Fabiana Machado Ferreira De Araujo, Duarte-Ruiz, Daniel, Holger-Dietrich Saßnick, Gentzmann, Marie C, Huthwelker, Thomas, Cocchi, Caterina
Published in arXiv.org (03.03.2023)

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Electronic structure of cesium-based photocathode materials from density functional theory: performance of PBE, SCAN, and HSE06 functionals

by Saßnick, Holger-Dietrich, Cocchi, Caterina
Published in Electronic Structure (01.06.2021)

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Stability and electronic properties of CsK$_2$Sb surface facets

by Schier, Richard, Sassnick, Holger-Dietrich, Cocchi, Caterina
Year of Publication 11.08.2022

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Thermodynamic stability and vibrational properties of multi-alkali antimonides

by Santana-Andreo, Julia, Saßnick, Holger-Dietrich, Cocchi, Caterina
Year of Publication 26.02.2024

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Tuning Structural and Electronic Properties of Metal-Organic Framework 5 by Metal Substitution and Linker Functionalization

by Edzards, Joshua, Saßnick, Holger-Dietrich, Andreo, Julia Santana, Cocchi, Caterina
Year of Publication 12.02.2024

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Electronic structure and optical properties of Na$_2$KSb and NaK$_2$Sb from first-principles many-body theory

by Amador, Raymond, Saßnick, Holger-Dietrich, Cocchi, Caterina
Year of Publication 17.04.2021

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Impact of Ligand Substitution and Metal Node Exchange in the Electronic Properties of Scandium Terephthalate Frameworks

by Saßnick, Holger-Dietrich, De Araujo, Fabiana Machado Ferreira, Edzards, Joshua, Cocchi, Caterina
Year of Publication 09.11.2023

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The Effects of Ligand Substituents on the Character of Zn-Coordination in Zeolitic Imidazolate Frameworks

by Edzards, Joshua, Saßnick, Holger-Dietrich, Buzanich, Ana Guilherme, Valencia, Ana M, Emmerling, Franziska, Beyer, Sebastian, Cocchi, Caterina
Year of Publication 08.09.2023

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