Theoretical study on the reduction mechanism of CO2 to HCOOH on Pd3Au: an explicit solvent model is essential
In: Journal of Materials Chemistry A, Jg. 11 (2023), S. 6591-6602
Online
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Zugriff:
The work function and d-band center of a catalyst together determine the catalytic activity of CO2 reduction to formic acid. And it is necessary to consider the solvation effect using an explicit solvent model.
Titel: |
Theoretical study on the reduction mechanism of CO2 to HCOOH on Pd3Au: an explicit solvent model is essential
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Autor/in / Beteiligte Person: | Zheng, Ming ; Zhou, Xin ; Wang, Yixin ; Chen, Gang ; Li, Mingxia |
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Zeitschrift: | Journal of Materials Chemistry A, Jg. 11 (2023), S. 6591-6602 |
Veröffentlichung: | Royal Society of Chemistry (RSC), 2023 |
Medientyp: | unknown |
ISSN: | 2050-7496 (print) ; 2050-7488 (print) |
DOI: | 10.1039/d2ta08552f |
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