Characterization of molybdenum monomeric oxide species supported on hydroxylated silica: a DFT study

Author:

Guesmi Hazar12345,Gryboś Robert67,Handzlik Jarosław8910,Tielens Frederik1112131415

Affiliation:

1. CNRS-UM2-ENSCM-UM1

2. UMR 5253

3. Institut Charles Gerhardt Montpellier

4. Ecole Nationale Supérieure de Chimie de Montpellier

5. 34296 Montpellier, France

6. J. Haber Institute of Catalysis and Surface Chemistry

7. 30-239 Kraków, Poland

8. Faculty of Chemical Engineering and Technology

9. Cracow University of Technology

10. 31-155 Kraków, Poland

11. Sorbonne Université

12. UPMC Univ Paris 06

13. UMR 7574

14. Laboratoire Chimie de la Matière Condensée

15. Collège de France

Abstract

Periodic DFT calculations have been performed on molybdenum(vi) oxide species supported on the hydroxylated amorphous silica surface.

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

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