activity
20172026
most citedElectronic Structure of Cesium-based Photocathode Materials from Density Functional Theory: Performance of PBE, SCAN, and HSE06 functionals

77 citations · 715 across the 63 of their papers we have counts for

collaborators
Showing 2023Show all

10 papers · 1 filter

cond-mat.mtrl-sci2023

Magnification of Plasmon Resonances in Monolayer MoS via Conjugated Molecular Adsorbates

Juan Pablo Guerrero-Felipe, Ana M. Valencia, . C. Cocchi

The adsorption of carbon-conjugated molecules represents an established route to tune the electronic and optical properties of transition metal dichalcogenide (TMDC) monolayers. He…

cond-mat.mtrl-sci2023

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…

cond-mat.mtrl-sci2023

Impact of nuclear effects on the ultrafast dynamics of an organic/inorganic mixed-dimensional interface

Matheus Jacobs, Karen Fidanyan, Mariana Rossi +1

Electron dynamics at weakly bound interfaces of organic/inorganic materials are easily influenced by large-amplitude nuclear motion. In this work, we investigate the effects of dif…

cond-mat.mtrl-sci2023

Composition-dependent absorption of radiation in semiconducting MSi2Z4 Monolayers

Muhammad Sufyan Ramzan, Tomasz Woźniak, Agnieszka Kuc +1

The recent synthesis of MoSi2N4 material, along with theoretical predictions encompassing the entire family of chemical analogs, has opened up a new array of low-dimensional materi…

cond-mat.mtrl-sci2023

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…

cond-mat.mtrl-sci2023

Interlayer vibrational hybrid normal mode enabling molecular chiral phonons

Hanen Hamdi, Jannis Krumland, Ana M. Valencia +2

Organic/inorganic interfaces formed by monolayer substrates and conjugated molecular adsorbates are attractive material platforms leveraging the modularity of organic compounds tog…