2 papers
cond-mat.mtrl-sci2025
Making atomistic materials calculations accessible with the AiiDAlab Quantum ESPRESSO app
Xing Wang, Edan Bainglass, Miki Bonacci +23
Despite the wide availability of density functional theory (DFT) codes, their adoption by the broader materials science community remains limited due to challenges such as software…
cond-mat.mtrl-sci2024
Understanding the irreversible lithium loss in silicon anodes using multi-edge X-ray scattering analysis
Michael A. Hernandez Bertran, Diana Zapata Dominguez, Christopher Berhaut +10
During the first charge-discharge cycle, silicon-based batteries show an important capacity loss because of the formation of the solid electrolyte interphase (SEI) and morphologica…