Fe vacancies in FeOCl enhanced reactive oxygen species generation for photocatalytic elimination of emerging pollutants

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

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

Singlet oxygen-dominated non-radical oxidation process for efficient degradation of bisphenol A under high salinity condition

Rui Luo, Miaoqing Li, Chaohai Wang et al. · Water Research · 2018 · 1K citations

Engineering, Chemical Engineering, Environmental Engineering +17

Defect-Mediated Electron–Hole Separation in One-Unit-Cell ZnIn₂S₄ Layers for Boosted Solar-Driven CO₂ Reduction

Xingchen Jiao, Zongwei Chen, Xiaodong Li et al. · Journal of the American Chemical Society · 2017 · 1K citations

Natural Sciences, Materials Science, Physics +17