17 citations · 17 across the 5 of their papers we have counts for
5 papers
Thermodynamic stability and vibrational properties of multi-alkali antimonides
Julia Santana-Andreo, Holger-Dietrich Saßnick, Caterina Cocchi
Modern advances in generating ultrabright electron beams have unlocked unprecedented experimental advances based on synchrotron radiation. Current challenges lie in improving the q…
Tuning Structural and Electronic Properties of Metal-Organic Framework 5 by Metal Substitution and Linker Functionalization
Joshua Edzards, Holger-Dietrich Saßnick, Julia Santana Andreo +1
The chemical flexibility of metal-organic frameworks (MOFs) offers an ideal platform to tune structure and composition for specific applications, from gas sensing to catalysis and…
Impact of Ligand Substitution and Metal Node Exchange in the Electronic Properties of Scandium Terephthalate Frameworks
Holger-Dietrich Saßnick, Fabiana Machado Ferreira De Araujo, Joshua Edzards +1
The search for sustainable alternatives to established materials is a sensitive topic in materials science. Due to their unique structural and physical characteristics, the composi…
The Effects of Ligand Substituents on the Character of Zn-Coordination in Zeolitic Imidazolate Frameworks
Joshua Edzards, Holger-Dietrich Saßnick, Ana Guilherme Buzanich +4
Due to their favorable properties and high porosity, zeolitic imidazolate frameworks (ZIFs) have recently received much limelight for key technologies such as energy storage, optoe…
Exploring the Cs-Te phase space via high-throughput density-functional theory calculations beyond the generalized-gradient approximation
Holger-Dietrich Saßnick, Caterina Cocchi
Boosted by the relentless increase of available computational resources, high-throughput calculations based on first principles methods have become a powerful tool to screen a huge…