Computational insights into the strain effect on the electrocatalytic reduction of CO₂ to CO on Pd surfaces

Physical Chemistry Chemical Physics（2020）

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摘要

Electroreduction of CO2 to CO was investigated using DFT and microkinetic modeling on strained Pd surfaces with adsorbate–adsorbate interactions included.

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electrocatalytic reduction,pd,surfaces

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Computational insights into the strain effect on the electrocatalytic reduction of CO2 to CO on Pd surfaces

Computational insights into the strain effect on the electrocatalytic reduction of CO₂ to CO on Pd surfaces