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)...

Full description

Bibliographic Details

Published in:	Applied Surface Science Advances
Main Authors:	Chia-Chi Chang, Shiuan-Yau Wu, Chen-Wei Chan, Hsin-Tsung Chen
Format:	Article
Language:	English
Published:	Elsevier 2023-12-01
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