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Solid–liquid interface, which is the location that electrochemical reaction occurs, is essential for CO2 reduction. However, different theoretical calculations often use different models of solid–liquid interface and predict conflicting mechanisms, e.g. for the formation of HCOOH. To address this issue, we adopt different structures of solid–liquid interface to mimic the reaction circumstance using...
CO2 reduction has been pursued for decades as an effective way to produce useful fuels and to mitigate global warming at the same time. Methanol synthesis from CO2 hydrogenation over Cu-based catalysts plays an important role in the chemical and energy industries. However, fundamental questions regarding the reaction mechanism and key reaction intermediates of this process are still unclear. To address...
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