Key to unlocking NO2 sensing performance of monolayer Ti3C2Tx: Regulating OH/F functional groups

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

Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set

Georg Kresse, J. Furthmüller · Computational Materials Science · 1996 · 74.7K citations

Natural Sciences, Chemistry, Materials Science +14

Two‐Dimensional Nanocrystals Produced by Exfoliation of Ti₃AlC₂

Michael Naguib, Murat Kurtoglu, Volker Presser et al. · Advanced Materials · 2011 · 11.5K citations · Full text

Natural Sciences, Chemistry, Materials Science +17

Black phosphorus field-effect transistors

Likai Li, Yijun Yu, Guo Jun Ye et al. · Nature Nanotechnology · 2014 · 8.4K citations · Full text

Engineering, Electrical Engineering, Materials Science +11

A grid-based Bader analysis algorithm without lattice bias

Wenjie Tang, Edward Sanville, Graeme Henkelman · Journal of Physics Condensed Matter · 2009 · 7.5K citations

Natural Sciences, Physics, Computational Chemistry +12