Issue 23, 2024

Reactivity of surface oxygen vacancy sites and frustrated Lewis acid–base pairs of In2O3 catalysts in CO2 hydrogenation

Abstract

The effects of oxygen vacancy (VO) formation energy and surface frustrated Lewis acid–base pairs (SFLPs) on the CO2 hydrogenation activity of In2O3 catalysts were studied using density functional theory calculations. The VO formation energy of 2.8–3.3 eV was found to favor HCOO formation, whereas the presence of SFLPs is conducive to CO formation.

Graphical abstract: Reactivity of surface oxygen vacancy sites and frustrated Lewis acid–base pairs of In2O3 catalysts in CO2 hydrogenation

Supplementary files

Article information

Article type
Communication
Submitted
29 Feb 2024
Accepted
22 May 2024
First published
23 May 2024

Phys. Chem. Chem. Phys., 2024,26, 16449-16453

Reactivity of surface oxygen vacancy sites and frustrated Lewis acid–base pairs of In2O3 catalysts in CO2 hydrogenation

Z. Wei, S. Li and P. Gao, Phys. Chem. Chem. Phys., 2024, 26, 16449 DOI: 10.1039/D4CP00895B

To request permission to reproduce material from this article, please go to the Copyright Clearance Center request page.

If you are an author contributing to an RSC publication, you do not need to request permission provided correct acknowledgement is given.

If you are the author of this article, you do not need to request permission to reproduce figures and diagrams provided correct acknowledgement is given. If you want to reproduce the whole article in a third-party publication (excluding your thesis/dissertation for which permission is not required) please go to the Copyright Clearance Center request page.

Read more about how to correctly acknowledge RSC content.

Social activity

Spotlight

Advertisements