Formation of Oxygen Radical Sites on MoVNbTeOx by Cooperative Electron Redistribution.

Zhu, Yuanyuan ORCID: 0000-0002-5257-5645, Sushko, Peter V, Melzer, Daniel, Jensen, Eric, Kovarik, Libor, Ophus, Colin ORCID: 0000-0003-2348-8558, Sanchez-Sanchez, Maricruz, Lercher, Johannes A ORCID: 0000-0002-2495-1404 and Browning, Nigel D ORCID: 0000-0003-0491-251X (2017) Formation of Oxygen Radical Sites on MoVNbTeOx by Cooperative Electron Redistribution. Journal of the American Chemical Society, 139 (36). pp. 12342-12345.

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Abstract

A novel pathway of increasing the surface density of catalytically active oxygen radical sites on a MoVTeNb oxide (M1 phase) catalyst during alkane oxidative dehydrogenation is reported. The novel sites form when a fraction of Te⁴⁺ is reduced and emitted from the M1 crystals under catalytic operating conditions, without compromising structural integrity of the catalyst framework. Density functional theory calculations show this Te reduction induces multiple inter-related electron transfers, and the associated cooperative effects lead to the formation of O^- radicals. The in situ observations identify complex dynamic changes in the catalyst on an atomistic level, highlighting a new way to tailor structure and dynamics for highly active catalysts.

Item Type:	Article
Depositing User:	Symplectic Admin
Date Deposited:	12 Dec 2018 09:48
Last Modified:	19 Jan 2023 01:09
DOI:	10.1021/jacs.7b05240
Related URLs:	Author Publisher
URI:	https://livrepository.liverpool.ac.uk/id/eprint/3029866