Bird’s-Eye View of the Activity Distribution on a Catalyst Surface via a Machine Learning-Driven Adequate Sampling Algorithm-Reference-Cited by-同舟云学术

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Bird’s-Eye View of the Activity Distribution on a Catalyst Surface via a Machine Learning-Driven Adequate Sampling Algorithm

Published:2024-04-15 Issue:16 Volume:15 Page:4384-4390
ISSN:1948-7185
Container-title:The Journal of Physical Chemistry Letters
language:en
Short-container-title:J. Phys. Chem. Lett.

Author:

Yang Hui¹²³,Ren Pengju¹²^ORCID,Geng Xiaobin²,Guo Wenping²,Lewis James Patrick¹²⁴^ORCID,Yang Yong¹²^ORCID,Li Yong-Wang¹²,Wen Xiao-Dong¹²³^ORCID

Affiliation:

1. State Key Laboratory of Coal Conversion, Institute of Coal Chemistry, Chinese Academy of Sciences, Taiyuan 030001, China

2. National Energy Center for Coal to Liquids, Synfuels China Company, Ltd., Huairou District, Beijing 101400, China

3. University of Chinese Academy of Sciences, No. 19A Yuquan Road, Beijing 100049, China

4. Hong Kong Quantum AI Laboratory, Ltd., Hong Kong Science Park, Hong Kong 999077, China

Funder

National Key Research and Development Program of China

Institute of Coal Chemistry, Chinese Academy of Sciences

National Science Fund for Distinguished Young Scholars

National Natural Science Foundation of China

Chinese Academy of Sciences

Beijing Advanced Innovation Center for Materials Genome Engineering, Synfuels China, Co. Ltd

Publisher

American Chemical Society (ACS)

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpclett.4c00095

Reference38 articles.

1. Surface and interface design for heterogeneous catalysis

2. What Changes on the Inverse Catalyst? Insights from CO Oxidation on Au-Supported Ceria Nanoparticles Using Ab Initio Molecular Dynamics

3. CO2 -to-Methanol Hydrogenation on Zirconia-Supported Copper Nanoparticles: Reaction Intermediates and the Role of the Metal-Support Interface

4. Inverse ZrO2/Cu as a highly efficient methanol synthesis catalyst from CO2 hydrogenation

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