Modulating the Coordination Environment of Cu-Embedded MoX2 (X = S, Se, and Te) Monolayers for Electrocatalytic Reduction of CO2 to CH4: Unveiling the Origin of Catalytic Activity

The electrochemical CO2 reduction reaction (CO2RR) is a promising approach to alleviating global warming and emerging energy crises. Yet, the CO2RR efficiency is impeded by the need for electrocatalysts with good selectivity and ef...

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Bibliographic Details
Main Author:	Thamarainathan Doulassiramane (17382128) (author)
Other Authors:	Ramanathan Padmanaban (17382131) (author)
Published:	2024
Subjects:	Biochemistry Evolutionary Biology Ecology Marine Biology Computational Biology Biological Sciences not elsewhere classified Chemical Sciences not elsewhere classified Physical Sciences not elsewhere classified emerging energy crises charge density difference attracted much attention antibonding states filling alleviating global warming possible reaction pathways hydrogen evolution reaction limiting potential (< local coordination environment 4 </ sub 3 </ sub 2 </ sub >< sub >< ></ sub >) single chalcogen (< >< sub coordination environment ></ sub reduction reaction x </ u </ l </ >) vacancy − 0 traditional metal systematically investigated significantly suppressing significant impact significant descriptors selectively produced results demonstrate promising catalyst promising approach ochoh intermediate mainly due good selectivity electrocatalytic reduction cohp analysis catalytic activity c1 products based catalysts atom catalysts adsorption configurations
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Modulating the Coordination Environment of Cu-Embedded Mo<i>X</i><sub>2</sub> (<i>X</i> = S, Se, and Te) Monolayers for Electrocatalytic Reduction of CO<sub>2</sub> to CH<sub>4</sub>: Unveiling the Origin of Catalytic Activity

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