Highly boron-doped holey graphene for lithium oxygen batteries with enhanced electrochemical performance

Efficient iterative schemes for<i>ab initio</i>total-energy calculations using a plane-wave basis set

Georg Kresse, J. Furthmüller · Physical review. B, Condensed matter · 1996 · 116.1K citations

Numerical Analysis, Engineering, Computational Chemistry +17

Projector augmented-wave method

Peter E. Blöchl · Physical review. B, Condensed matter · 1994 · 87.4K citations

Engineering, Optic Design, Augmentation Procedure +19

<i>Ab initio</i>molecular dynamics for liquid metals

Georg Kresse, J. Häfner · Physical review. B, Condensed matter · 1993 · 43.6K citations

Quantum Liquid, Liquid Metals, Engineering +15

Semiempirical GGA‐type density functional constructed with a long‐range dispersion correction

Stefan Grimme · Journal of Computational Chemistry · 2006 · 29.9K citations

Materials Science, New Density Functional, Chemical Engineering +14

Holey graphene frameworks for highly efficient capacitive energy storage

Yuxi Xu, Zhaoyang Lin, Xing Zhong et al. · Nature Communications · 2014 · 1.4K citations · Full text

Materials Science, Graphene Nanomeshes, Electrical Engineering +6