Piezo-photocatalytic synergetic for H2O2 generation via dual-pathway over Z-scheme ZIF-L/g-C3N4 heterojunction

Generalized Gradient Approximation Made Simple

John P. Perdew, Kieron Burke, Matthias Ernzerhof · Physical Review Letters · 1996 · 203.9K citations · Full text

Numerical Analysis, Engineering, Machine Learning +19

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

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 · 53.8K citations

Engineering, Physics, Natural Sciences +11

Hydrogen Peroxide Synthesis: An Outlook beyond the Anthraquinone Process

José M. Campos‐Martín, Gema Blanco‐Brieva, J.L.G. Fierro · Angewandte Chemie International Edition · 2006 · 3K citations

Advanced Oxidation Process, Hydrogen Production, Engineering +20