Influence of temperature, surface composition and electrochemical environment on 2-propanol decomposition at the Co3O4 (001)/H2O interface
Ab initio molecular dynamics simulations of a single hydrated 2-propanol molecule were performed to study the role of temperature, surface structure and electrochemical environment for the oxidation of 2-propanol to acetone at the Co3O4 (001)/H2O interface. On the A-terminated and B-terminated surfa...
Main Authors: | , , , |
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Format: | Article |
Language: | English |
Published: |
Elsevier
2022-12-01
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Series: | Applied Surface Science Advances |
Subjects: | |
Online Access: | http://www.sciencedirect.com/science/article/pii/S266652392200109X |