Concepedia

Electrocatalytic transformation of HF impurity to H2 and LiF in lithium-ion batteries

Dušan Strmčnik, Ivano E. Castelli, Justin G. Connell, Dominik Haering, Milena Zorko, Pedro Farinazzo Bergamo Dias Martins, Pietro Papa Lopes, Boštjan Genorio, Thomas Østergaard, Hubert A. Gasteiger,

Nature Catalysis · 2018 · 200 citations · 45 references

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References

45

Improved adsorption energetics within density-functional theory using revised Perdew-Burke-Ernzerhof functionals

Bjørk Hammer, L. B. Hansen, Jens K. Nørskov · Physical review. B, Condensed matter · 1999 · 8.2K citations · Full text

, , +17

The atomic simulation environment—a Python library for working with atoms

Ask Hjorth Larsen, Jens Jørgen Mortensen, Jakob Blomqvist et al. · Journal of Physics Condensed Matter · 2017 · 4.6K citations · Full text

, , +14

Computational high-throughput screening of electrocatalytic materials for hydrogen evolution

Jeff Greeley, Thomas F. Jaramillo, Jacob Bonde et al. · Nature Materials · 2006 · 4.1K citations

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The interaction of water with solid surfaces: Fundamental aspects

P. A. Thiel, Theodore E. Madey · Surface Science Reports · 1987 · 2.4K citations

, , +14

Electronic structure calculations with GPAW: a real-space implementation of the projector augmented-wave method

Jussi Enkovaara, C. Rostgaard, J. J. Mortensen et al. · Journal of Physics Condensed Matter · 2010 · 2.3K citations

, , +12