Unraveling the Detailed Interactions between the Surface Species and Nanoparticle Catalyst by a Temperature-Programed Desorption Spectrum at the Molecular Level via a Multi-Scale Simulation and Modeling Experiment-Reference-Cited by-同舟云学术

Unraveling the Detailed Interactions between the Surface Species and Nanoparticle Catalyst by a Temperature-Programed Desorption Spectrum at the Molecular Level via a Multi-Scale Simulation and Modeling Experiment

Published:2023-03-13 Issue:11 Volume:127 Page:5299-5307
ISSN:1932-7447
Container-title:The Journal of Physical Chemistry C
language:en
Short-container-title:J. Phys. Chem. C

Author:

Wang He¹²,He Yurong¹³,Liu Xing-Wu⁴^ORCID,Teng Botao⁵^ORCID,Li Yongwang¹²⁴,Wen Xiao-Dong¹²⁴^ORCID

Affiliation:

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

2. University of Chinese Academy of Sciences, No. 19A Yuquan Road, Beijing 100049, P. R. China

3. State Key Laboratory of High-efficiency Utilization of Coal and Green Chemical Engineering, College of Chemistry and Chemical Engineering, Ningxia University, Yinchuan 750021, P. R. China

4. National Energy Center for Coal to Liquids, Synfuels China Co. Ltd., Huairou District, Beijing 101400, P. R. China

5. College of Chemical Engineering and Materials Science, Tianjin University of Science and Technology, Tianjin 300457, P. R. China

Funder

China Postdoctoral Science Foundation

Youth Innovation Promotion Association of the Chinese Academy of Sciences

State Key Laboratory of Coal Conversion, Institute of Coal Chemistry, Chinese Academy of Sciences

National Natural Science Foundation of China

Chinese Academy of Sciences

Institute of Coal Chemistry, Chinese Academy of Sciences

Beijing Advanced Innovation Center for Materials Genome Engineering

Synfuels China

Publisher

American Chemical Society (ACS)

Subject

Surfaces, Coatings and Films,Physical and Theoretical Chemistry,General Energy,Electronic, Optical and Magnetic Materials

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpcc.2c08477

Reference84 articles.

1. Heterogeneous Catalysis: A Central Science for a Sustainable Future

2. The concept of active site in heterogeneous catalysis

3. Bistability for CO Oxidation: An Understanding from Extended Phenomenological Kinetics Simulations

4. Catalyst Design by Interpolation in the Periodic Table: Bimetallic Ammonia Synthesis Catalysts

5. Theory and applications of surface micro‐kinetics in the rational design of catalysts using density functional theory calculations