33 citations · 33 across the 2 of their papers we have counts for
2 papers
cond-mat.mtrl-sci2024
Structure prediction of stable sodium germanides at 0 and 10 GPa
James P. Darby, Angela F. Harper, Joseph R. Nelson +1
In this work we used random structure searching (AIRSS) to carry out a systematic search for crystalline Na-Ge materials at both 0 and 10 GPa. The high-through…
cond-mat.mtrl-sci2020★ 33 cited
Computational Investigation of Copper Phosphides as Conversion Anodes for Lithium-Ion Batteries
Angela F. Harper, Matthew L. Evans, Andrew J. Morris
Using first principles structure searching with density-functional theory (DFT) we identify a novel phase of CuP and two low-lying metastable structures, an $I\bar…