Discovery of a New Solvent Co-Catalyzed Mechanism in Heterogeneous Catalysis: A First-Principles Study with Molecular Dynamics on Acetaldehyde Hydrogenation on Birnessite-Reference-Cited by-同舟云学术

Discovery of a New Solvent Co-Catalyzed Mechanism in Heterogeneous Catalysis: A First-Principles Study with Molecular Dynamics on Acetaldehyde Hydrogenation on Birnessite

Published:2022-01-21 Issue:2 Volume:2 Page:328-334
ISSN:2691-3704
Container-title:JACS Au
language:en
Short-container-title:JACS Au

Author:

Xie Wenbo¹,Reid Glenn¹,Hu P.¹^ORCID

Affiliation:

1. School of Chemistry and Chemical Engineering, The Queen’s University of Belfast, Belfast BT9 5AG, U.K.

Funder

National Natural Science Foundation of China

Publisher

American Chemical Society (ACS)

Subject

General Medicine

Link

https://pubs.acs.org/doi/pdf/10.1021/jacsau.1c00452

Reference37 articles.

1. Quantitative Studies of the Key Aspects in Selective Acetylene Hydrogenation on Pd(111) by Microkinetic Modeling with Coverage Effects and Molecular Dynamics

2. Origin of the Increase of Activity and Selectivity of Nickel Doped by Au, Ag, and Cu for Acetylene Hydrogenation

3. Identification of Non-Precious Metal Alloy Catalysts for Selective Hydrogenation of Acetylene

Cited by 10 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. XPK: Toward Accurate and Efficient Microkinetic Modeling in Heterogeneous Catalysis;ACS Catalysis;2023-11-14

2. Mechanisms of CH₄ activation over oxygen‐preadsorbed transition metals by ReaxFF and AIMD simulations;Journal of Computational Chemistry;2023-09-25

3. Boosting CO₂ Hydrogenation to Formate over Edge‐Sulfur Vacancies of Molybdenum Disulfide;Angewandte Chemie International Edition;2023-08-04

4. Boosting CO₂ Hydrogenation to Formate over Edge‐Sulfur Vacancies of Molybdenum Disulfide;Angewandte Chemie;2023-08-03

5. Identifying the activity origin of silver catalysts induced by interfacial electron localization for regioselective C O bond hydrogenation;Chemical Engineering Journal;2023-02