Electrochemical CO2 reduction on metal-silicon centered single-atom dual site catalyst: A computational study

Electrochemical CO2 reduction on metal-silicon centered single-atom dual site catalyst: A computational study

In this work, we employed density functional theory (DFT) computations to design innovative electrocatalysts for the electrochemical CO2 reduction reaction (ECRR). Specifically, we focused on single-metal dual site catalysts (SM-DSCs) based on monolayer boron nitride (BN) modified with silicon (Si)...

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Bibliographic Details
Main Authors: Chia-Chi Chang, Shiuan-Yau Wu, Chen-Wei Chan, Hsin-Tsung Chen
Format: Article
Language:English
Published: Elsevier 2023-12-01
Series:Applied Surface Science Advances
Subjects:
Electrochemical CO2 reduction reaction
Electrocatalysis
Boron nitride monolayer
Single-metal dual site catalysts
DFT calculations
Online Access:http://www.sciencedirect.com/science/article/pii/S2666523923001599

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http://www.sciencedirect.com/science/article/pii/S2666523923001599

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