Molecular Adsorption Kinetics: Nonlinear Entropy–Enthalpy Loss Quantified by Constrained AIMD and Insights into the Adsorption-Site Determination on Metal Oxides-Reference-Cited by-同舟云学术

Molecular Adsorption Kinetics: Nonlinear Entropy–Enthalpy Loss Quantified by Constrained AIMD and Insights into the Adsorption-Site Determination on Metal Oxides

Published:2021-05-12 Issue:20 Volume:125 Page:10974-10982
ISSN:1932-7447
Container-title:The Journal of Physical Chemistry C
language:en
Short-container-title:J. Phys. Chem. C

Author:

Peng Chao¹²³^ORCID,Chen Jianfu¹,Hu Peijun¹⁴^ORCID,Wang Haifeng¹^ORCID

Affiliation:

1. Key Laboratory for Advanced Materials, Centre for Computational Chemistry and Research Institute of Industrial Catalysis, East China University of Science and Technology, Shanghai 200237, China

2. School of Chemistry and Chemical Engineering, University of South China, Hengyang, Hunan 421001, China

3. Multiscale Crystal Materials Research Center, Shenzhen Institute of Advanced Technology, Chinese Academy of Sciences, Shenzhen 518055, China

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

Funder

National Natural Science Foundation of China

Fundamental Research Funds for the Central Universities

National Key R&D Program of China

National Ten Thousand Talent Program for Young Top-notch Talents in China

Shanghai ShuGuang project

Natural Science Foundation of Hunan Province

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.1c02537

Reference45 articles.

1. Identification of General Linear Relationships between Activation Energies and Enthalpy Changes for Dissociation Reactions at Surfaces

2. Universality in Heterogeneous Catalysis

3. The Brønsted–Evans–Polanyi Relation and the Volcano Plot for Ammonia Synthesis over Transition Metal Catalysts

4. Finding the Rate-Determining Step in a Mechanism

5. Analyses of Reaction Schemes Using De Donder Relations

Cited by 6 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. Drug Repositioning Using Computer-aided Drug Design (CADD);Current Pharmaceutical Biotechnology;2024-02

2. The Entropy of van der Waals Fluid;ChemPhysChem;2024-01-29

3. Understanding the Effect of Single Atom Cationic Defect Sites in an Al₂O₃ (012) Surface on Altering Selenate and Sulfate Adsorption: An Ab Initio Study;The Journal of Physical Chemistry C;2023-03-30

4. Calculation of Entropy for a Two-Dimensional (2D) Ideal Gas with a Statistical Thermodynamic Method;The Journal of Physical Chemistry C;2022-08-23

5. Recent advances in chitosan-polyaniline based nanocomposites for environmental applications: A review;Polymer;2022-07