Influence factors of CO adsorption on C<sub>2</sub>N-supported dual-atom catalysts unveiled by machine learning and twofold feature engineering-Reference-Cited by-同舟云学术

Influence factors of CO adsorption on C₂N-supported dual-atom catalysts unveiled by machine learning and twofold feature engineering

Published:2024 Issue:12 Volume:26 Page:9350-9355
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Chang Shikai¹,Wang Hongshuai¹²,Ji Yujin¹^ORCID,Li Youyong¹³^ORCID

Affiliation:

1. Institute of Functional Nano & Soft Materials (FUNSOM), Jiangsu Key Laboratory for Carbon-Based Functional Materials & Devices, Soochow University, Suzhou, Jiangsu 215123, China

2. DP Technology, Beijing, 100080, China

3. Macao Institute of Materials Science and Engineering, Macau University of Science and Technology, Taipa, Macau SAR 999078, China

Abstract

CO adsorption on dual-atom catalysts was studied by the DFT-ML method. Twofold feature engineering revealed the synergistic effects were related with the last one occupied orbital radius (rv) and the group number (G) of transition metal atoms.

Funder

National Natural Science Foundation of China

Science and Technology Development Fund

Publisher

Royal Society of Chemistry (RSC)

Link

http://pubs.rsc.org/en/content/articlepdf/2024/CP/D4CP00213J

Reference33 articles.

1. Double-atom catalysts for energy-related electrocatalysis applications: a theoretical perspective

2. Recent Advances in Dual‐Atom Site Catalysts for Efficient Oxygen and Carbon Dioxide Electrocatalysis

3. Superiority of Dual‐Atom Catalysts in Electrocatalysis: One Step Further Than Single‐Atom Catalysts

4. A Supported Pd 2 Dual‐Atom Site Catalyst for Efficient Electrochemical CO 2 Reduction

5. Enhanced CO 2 Electroreduction on Neighboring Zn/Co Monomers by Electronic Effect

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