Nitrogen doped BiFeO3 with enhanced magnetic properties and photo-Fenton catalytic activity for degradation of bisphenol A under visible light

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

QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials

Paolo Giannozzi, Stefano Baroni, Nicola Bonini et al. · Journal of Physics Condensed Matter · 2009 · 28.8K citations · Full text

Natural Sciences, Materials Science, Physics +17

Visible-Light Photocatalysis in Nitrogen-Doped Titanium Oxides

Ryoji Asahi, Takeshi Morikawa, Takeshi Ohwaki et al. · Science · 2001 · 12.2K citations

Natural Sciences, Chemistry, Materials Science +17

High-precision sampling for Brillouin-zone integration in metals

M. Methfessel, A. T. Paxton · Physical review. B, Condensed matter · 1989 · 7.7K citations

Natural Sciences, Materials Science, Physics +15