Operando Characterization and DFT Modeling of Nanospinels: Some Examples Showing the Relationship with Catalytic Activity - Sorbonne Université Access content directly
Journal Articles Applied Catalysis A : General Year : 2015

Operando Characterization and DFT Modeling of Nanospinels: Some Examples Showing the Relationship with Catalytic Activity

Abstract

In this paper we have presented results on spinel nano-materials considering a collection of techniques, which is considered today a state-of the-art in the field of catalyst research (characterization and study of structure/reactivity relationship). Through a selected collection of techniques, experimental as well as theoretical, we illustrate this setup of techniques on the characterization of spinels (ZnAl 2 O 4) through XAS and by wide angle anomalous X-ray scattering (AWAXS). The effect of Al/Zn substitution was investigated as well and related Co/Al spinels were investigated on their catalytic properties using DFT. The catalytic properties towards NO, O 2 , and NH 3 are explored for the very first time on the Co/Al spinel surfaces, and possible reaction mechanisms proposed.

Keywords

Domains

Catalysis
Fichier principal
Vignette du fichier
Tielens_Operando.pdf (676.71 Ko) Télécharger le fichier
Origin : Files produced by the author(s)
Loading...

Dates and versions

hal-01148442 , version 1 (04-05-2015)

Identifiers

Cite

Frederik Tielens, Dominique Bazin. Operando Characterization and DFT Modeling of Nanospinels: Some Examples Showing the Relationship with Catalytic Activity. Applied Catalysis A : General, 2015, 504, pp.631-641. ⟨10.1016/j.apcata.2015.01.049⟩. ⟨hal-01148442⟩
110 View
305 Download

Altmetric

Share

Gmail Facebook X LinkedIn More