Modelling the surface of amorphous dehydroxylated silica: the influence of the potential on the nature and density of defects-Reference-Cited by-同舟云学术

Modelling the surface of amorphous dehydroxylated silica: the influence of the potential on the nature and density of defects

Published:2018 Issue:2 Volume:42 Page:1356-1367
ISSN:1144-0546
Container-title:New Journal of Chemistry
language:en
Short-container-title:New J. Chem.

Author:

Halbert Stéphanie¹²³⁴⁵^ORCID,Ispas Simona⁶⁷³⁴⁸^ORCID,Raynaud Christophe¹²³⁴⁵^ORCID,Eisenstein Odile¹²³⁴⁵^ORCID

Affiliation:

1. Institut Charles Gerhardt (ICGM)

2. UMR 5253

3. Univ. Montpellier

4. CNRS

5. ENSCM

6. Laboratoire Charles Coulomb (L2C)

7. UMR 5221

8. Montpellier

Abstract

The nature and density of defects on the amorphous dehydroxylated silica surface are studied by molecular dynamics for information on the silanol groups of pretreated silica.

Funder

Ministère de l'Education Nationale, de l'Enseignement Supérieur et de la Recherche

Agence Nationale de la Recherche

Publisher

Royal Society of Chemistry (RSC)

Subject

Materials Chemistry,General Chemistry,Catalysis

Link

http://pubs.rsc.org/en/content/articlepdf/2018/NJ/C7NJ03922K

Reference98 articles.

1. Strategies to Immobilize Well-Defined Olefin Metathesis Catalysts: Supported Homogeneous Catalysisvs. Surface Organometallic Chemistry

2. Surface organometallic chemistry: some fundamental features including the coordination effects of the support

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4. Dynamics of Silica-Supported Catalysts Determined by Combining Solid-State NMR Spectroscopy and DFT Calculations

5. Surface Organometallic and Coordination Chemistry toward Single-Site Heterogeneous Catalysts: Strategies, Methods, Structures, and Activities

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