Concepedia

The Restructuring-Induced CoO<sub><i>x</i></sub> Catalyst for Electrochemical Water Splitting

Maoyu Wang, Qingbo Wa, Xiaowan Bai, Zuyun He, Widitha S. Samarakoon, Qing Ma, Yingge Du, Yan Chen, Hua Zhou, Yuanyue Liu,

JACS Au · 2021 · 78 citations · 40 references

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Concepts

Abstract

octahedral clusters as the actual active sites. Our results also provide insights to design other transition-metal-based materials as efficient electrocatalysts that experience a similar restructuring in OER.

References

40

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 · 120.5K citations

, , +15

Projector augmented-wave method

Peter E. Blöchl · Physical review. B, Condensed matter · 1994 · 90.8K citations

, , +17

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 · 56.9K citations

, , +14

<i>Ab initio</i>molecular dynamics for liquid metals

Georg Kresse, J. Häfner · Physical review. B, Condensed matter · 1993 · 44.9K citations

, , +17

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