Physical Chemistry Chemical Physics · 2019 · 33 citations · 46 references
We demonstrate that tetr-V<sub>2</sub>C<sub>2</sub> and tetr-V<sub>2</sub>N<sub>2</sub> monolayer sheets exhibit low Li diffusion barrier, high theoretical capacity and low average open circuit, suitable as anode materials for lithium ion batteries.
46
Generalized Gradient Approximation Made Simple
John P. Perdew, Kieron Burke, Matthias Ernzerhof · Physical Review Letters · 1996 · 203.9K citations · Full text
<i>Ab initio</i>molecular dynamics for liquid metals
Georg Kresse, J. Häfner · Physical review. B, Condensed matter · 1993 · 43.6K citations