A Janus WSi2P2As2 monolayer: A promising material for detecting NO2 with excellent sensitivity, selectivity, reversibility, and humidity resistance

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

Special points for Brillouin-zone integrations

Hendrik J. Monkhorst, J.D. Pack · Physical review. B, Solid state · 1976 · 70.3K citations

Natural Sciences, Physics, Computational Electromagnetics +6

A consistent and accurate<i>ab initio</i>parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu

Stefan Grimme, Jens Antony, Stephan Ehrlich et al. · The Journal of Chemical Physics · 2010 · 56.9K citations

Natural Sciences, Chemistry, Physics +14

Density-functional method for nonequilibrium electron transport

Mads Brandbyge, José-Luís Mozos, Pablo Ordejón et al. · Physical review. B, Condensed matter · 2002 · 5.8K citations · Full text

Natural Sciences, Materials Science, Physics +17

Janus monolayers of transition metal dichalcogenides

Ang‐Yu Lu, Hanyu Zhu, Jun Xiao et al. · Nature Nanotechnology · 2017 · 2.4K citations

Natural Sciences, Materials Science, Physics +12