Dissociative iodomethane adsorption on Ag-MOR and the formation of AgI clusters: an ab initio molecular dynamics study-Reference-Cited by-同舟云学术

Dissociative iodomethane adsorption on Ag-MOR and the formation of AgI clusters: an ab initio molecular dynamics study

Author:

Bučko Tomáš¹²³⁴⁵^ORCID,Chibani Siwar⁶⁷⁸⁹¹⁰,Paul Jean-François¹¹¹²¹³¹⁴¹⁵^ORCID,Cantrel Laurent¹⁶¹⁷¹⁸¹⁹,Badawi Michael⁶⁷⁸⁹¹⁰^ORCID

Affiliation:

1. Department of Physical and Theoretical Chemistry

2. Faculty of Natural Sciences

3. Comenius University

4. Ilkovičova 6

5. SK-84215 Bratislava

6. Université de Lorraine

7. Laboratoire de Chimie et Physique-Approche Multi-Echelle des Milieux Complexes EA4632

8. Institut Jean-Barriol FR2843 CNRS

9. Rue Victor Demange

10. 57500 Saint-Avold

11. Université de Lille

12. CNRS, ENSCL

13. Centrale Lille

14. Univ. Artois

15. UMR 8181-UCCS-Unité de Catalyse et de Chimie du Solide

16. Institut de Radioprotection et de Sûreté Nucléaire

17. CE Cadarache

18. F-13115 Saint Paul lez Durance

19. France

Abstract

Using ab initio MD simulations, a full transformation path of iodomethane in Ag-MOR is explored: from adsorption to formation of AgI clusters.

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

Reference64 articles.

4. B. Clement , L.Cantrel, G.Ducros, F.Funke, L.Herranz, A.Rydl, G.Weber and C.Wren, OCDE Report, NEA/CSNI/R(2007)1, 2007, p. 11

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