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

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Authors: Raffaele Cheula, Aloysius Soon, Matteo Maestri

Journal title: Catalysis Science & Technology

Journal number: 8/14

Journal publisher: Royal Society of Chemistry

Published year: 2018

Published pages: 3493-3503

DOI identifier: 10.1039/c8cy00583d

ISSN: 2044-4753