Concepedia

N,S coordination in Ni single-atom catalyst promoting CO<sub>2</sub>RR towards HCOOH

Zengxuan Chen, Shoufu Cao, Jiao Li, Chunyu Yang, Shuxian Wei, Siyuan Liu, Zhaojie Wang, Xiaoqing Lü

Physical Chemistry Chemical Physics · 2023 · 20 citations · 45 references

DOI

Concepts

Abstract

RR catalyst to produce HCOOH, and demonstrates that N,S coordination is an effective strategy to regulate the performance of atomically dispersed electrocatalysts.

References

45

Generalized Gradient Approximation Made Simple

John P. Perdew, Kieron Burke, Matthias Ernzerhof · Physical Review Letters · 1996 · 211.5K citations · Full text

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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

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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

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Origin of the Overpotential for Oxygen Reduction at a Fuel-Cell Cathode

Jens K. Nørskov, Jan Rossmeisl, Á. Logadóttir et al. · The Journal of Physical Chemistry B · 2004 · 12.7K citations

, , +17

How copper catalyzes the electroreduction of carbon dioxide into hydrocarbon fuels

Andrew A. Peterson, Frank Abild‐Pedersen, Felix Studt et al. · Energy & Environmental Science · 2010 · 3.7K citations

, , +17