Langmuir : the ACS journal of surfaces and colloids
Unveiling the Catalytic Activity and Selectivity by Tuning the Coordination Environment of Cu Embedded on the WX2 (X═S, Se, and Te) Monolayer for the Nitric Oxide Reduction Reaction: Insights from the DFT Approach.
Rinu Jacob, Ramanathan Padmanaban
Published: 202510.1021/acs.langmuir.5c04273
Abstract
In this work, the effect of the coordination environment in Cu embedded in an X-vacant WX2 (X = S, Se, and Te) monolayer for the electrochemical NO reduction reaction (NORR) is investigated using the dispersion-corrected density functional theory (DF…
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