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

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Showing 2024Show all

5 papers · 1 filter

cond-mat.mtrl-sci2024

Electronic and optical properties of computationally predicted Na-K-Sb crystals

Chung Xu, Richard Schier, Caterina Cocchi

Thanks to their favorable electronic and optical properties, sodium-potassium-antimonides are an emerging class of crystals used as photocathodes in particle accelerators. The pers…

cond-mat.mtrl-sci2024

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…

cond-mat.mtrl-sci2024

First-Principle Characterization of Structural, Electronic, and Optical Properties of Tin-Halide Monomers

Freerk Schütt, Ana M. Valencia, Caterina Cocchi

The growing interest in tin-halide semiconductors for photovoltaic applications demands an in-depth knowledge of the fundamental properties of its constituents, starting from the s…

cond-mat.mtrl-sci2024

Electronic properties of MoSe nanowrinkles

Stefan Velja, Jannis Krumland, Caterina Cocchi

Mechanical deformations, either spontaneously occurring during sample preparation or purposely induced in their nanoscale manipulation, drastically affect the electronic and optica…

cond-mat.mtrl-sci2024

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…