Unraveling the atomic-level manipulation mechanism of tin-based ternary anodes via hetero-anion engineering for stable sodium ion storage

Generalized Gradient Approximation Made Simple

John P. Perdew, Kieron Burke, Matthias Ernzerhof · Physical Review Letters · 1996 · 211.5K citations · Full text

Natural Sciences, Chemistry, Physics +16

Projector augmented-wave method

Peter E. Blöchl · Physical review. B, Condensed matter · 1994 · 90.8K citations

Natural Sciences, Chemistry, Physics +17

THE PRINCIPLES DETERMINING THE STRUCTURE OF COMPLEX IONIC CRYSTALS

Linus Pauling · Journal of the American Chemical Society · 1929 · 2K citations

Natural Sciences, Chemistry, Crystal Structure +14

A high-throughput infrastructure for density functional theory calculations

Anubhav Jain, Geoffroy Hautier, Charles Moore et al. · Computational Materials Science · 2011 · 1.1K citations

Natural Sciences, Chemistry, Physics +14

Ultrathin MoS_{2(1–<i>x</i>)}Se_2<i>x</i> Alloy Nanoflakes For Electrocatalytic Hydrogen Evolution Reaction

Qiufang Gong, Liang Cheng, Changhai Liu et al. · ACS Catalysis · 2015 · 530 citations

Natural Sciences, Materials Engineering, Materials Science +17