Prediction of optimal catalysts for a given chemical reaction-Reference-Cited by-同舟云学术

Prediction of optimal catalysts for a given chemical reaction

Published:2020 Issue:7 Volume:10 Page:2069-2081
ISSN:2044-4753
Container-title:Catalysis Science & Technology
language:en
Short-container-title:Catal. Sci. Technol.

Author:

Toulhoat Hervé¹²³⁴⁵^ORCID,Raybaud Pascal⁶⁷⁸^ORCID

Affiliation:

1. Sorbonne Université

2. UPMC

3. CNRS

4. Laboratoire de Réactivité de Surface

5. Paris

6. IFP Energies Nouvelles

7. Solaize

8. France

Abstract

We show that the optimal catalyst for a given reaction equalizes the free energies of intermediates in an adsorbed phase, and in consequence is described by a surface energy proportional to the enthalpy of this reaction.

Publisher

Royal Society of Chemistry (RSC)

Subject

Catalysis

Link

http://pubs.rsc.org/en/content/articlepdf/2020/CY/C9CY02196E

Reference36 articles.

1. Oxidation-reduction potentials and their relation to the catalytic activity of transition metal oxides

2. Towards the computational design of solid catalysts

3. Kinetic interpretation of catalytic activity patterns based on theoretical chemical descriptors

4. Hydrogénations et déshydrogénations par catalyse

5. A benchmark database for adsorption bond energies to transition metal surfaces and comparison to selected DFT functionals

Cited by 17 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. Co(III), Co(II), Co(I): Tuning Single Cobalt Metal Atom Oxidation States in a 2D Coordination Network;Advanced Functional Materials;2024-08-14

2. Unlocking Quantum Catalysis in Topological Trivial Materials: A Case Study of Janus Monolayer MoSMg;Small Science;2024-07-22

3. Multifold Fermions Boosted Hydrogen Evolution Reaction Catalysis in Cubic Palladium Bronze LaPd₃S₄;Small Structures;2024-06-03

4. Nodal chain semimetal Co2MnGa: A magnetic catalyst with topological significance;Chemical Engineering Journal;2024-02

5. Tailoring Ag Electron Donating Ability for Organohalide Reduction: A Bilayer Electrode Design;Langmuir;2023-10-26