Prediction of morphological changes of catalyst materials under reaction conditions by combined ab initio thermodynamics and microkinetic modelling-Reference-Cited by-同舟云学术

Prediction of morphological changes of catalyst materials under reaction conditions by combined ab initio thermodynamics and microkinetic modelling

Published:2018 Issue:14 Volume:8 Page:3493-3503
ISSN:2044-4753
Container-title:Catalysis Science & Technology
language:en
Short-container-title:Catal. Sci. Technol.

Author:

Cheula Raffaele¹²³⁴⁵^ORCID,Soon Aloysius⁶⁷⁸⁹^ORCID,Maestri Matteo¹²³⁴⁵^ORCID

Affiliation:

1. Laboratory of Catalysis and Catalytic Processes

2. Dipartimento di Energia

3. Politecnico di Milano

4. 20156 Milano

5. Italy

6. Department of Materials Science and Engineering

7. Yonsei University

8. Seoul

9. Korea

Abstract

Microkinetic modeling, ab initio thermodynamics and Wulff–Kaishew construction are used to predict catalyst structural changes under reaction conditions.

Funder

H2020 European Research Council

Publisher

Royal Society of Chemistry (RSC)

Subject

Catalysis

Link

http://pubs.rsc.org/en/content/articlepdf/2018/CY/C8CY00583D

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