Concepedia

Cation effect on the elementary steps of the electrochemical CO reduction reaction on Cu

Yifei Xu, Zhaoming Xia, Wenqiang Gao, Hai Xiao, Bingjun Xu

Nature Catalysis · 2024 · 77 citations · 42 references

DOI

Concepts

References

42

From ultrasoft pseudopotentials to the projector augmented-wave method

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

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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

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New insights into the electrochemical reduction of carbon dioxide on metallic copper surfaces

Kendra P. Kuhl, Etosha R. Cave, David N. Abram et al. · Energy & Environmental Science · 2012 · 3.1K citations

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Higher-accuracy van der Waals density functional

Kyuho Lee, Éamonn Murray, Lingzhu Kong et al. · Physical Review B · 2010 · 2.7K citations · Full text

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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