most citedTheoretical mapping of interaction between alkali metal atoms adsorbed on graphene-like BC3 monolayer

1 citations · 1 across the 1 of their papers we have counts for

collaborators

2 papers

physics.chem-ph2024

Insights into Polymer Electrolyte Stability and Reaction Pathways: A first-principle calculations study

Kazem Zhour, Andreas Heuer, Diddo Diddens

This study investigates the electrochemical behavior and decomposition pathways of four monomers, namely PMC, PMC-OH, PeMC-OH, and DEO-EA, which are potential candidates for polyme…

cond-mat.mtrl-sci2021★ 1 cited

Theoretical mapping of interaction between alkali metal atoms adsorbed on graphene-like BC3 monolayer

Kazem Zhour, Andrei Postnikov

First-principles calculations using density functional theory and two methods in comparison, Quantum ESPRESSO and Siesta, are done on large supercells which describe different plac…