The key role of carboxylate ligands in Ru@Ni-MOFs/NF in promoting water dissociation kinetics for effective hydrogen evolution in alkaline media

From ultrasoft pseudopotentials to the projector augmented-wave method

Georg Kresse, Daniel P. Joubert · Physical review. B, Condensed matter · 1999 · 83.6K citations

Natural Sciences, Chemistry, Physics +17

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 climbing image nudged elastic band method for finding saddle points and minimum energy paths

Graeme Henkelman, Blas P. Uberuaga, Hannes Jónsson · The Journal of Chemical Physics · 2000 · 21.2K citations

Natural Sciences, Chemistry, Physics +17

Ultrathin metal-organic framework array for efficient electrocatalytic water splitting

Jingjing Duan, Chen Sheng, Chuan Zhao · Nature Communications · 2017 · 1.3K citations · Full text

Natural Sciences, Materials Engineering, Materials Science +17

Tracking Catalyst Redox States and Reaction Dynamics in Ni–Fe Oxyhydroxide Oxygen Evolution Reaction Electrocatalysts: The Role of Catalyst Support and Electrolyte pH

Mikaela Görlin, Jorge V Ferreira de Araujo, Henrike Schmies et al. · Journal of the American Chemical Society · 2017 · 698 citations

Natural Sciences, Chemical Engineering, Chemistry +17