Dehydroxylation and Silanization of the Surfaces of β-Cristobalite Silica: An ab Initio Simulation-Reference-Cited by-同舟云学术

Dehydroxylation and Silanization of the Surfaces of β-Cristobalite Silica: An ab Initio Simulation

Published:2001-07-26 Issue:33 Volume:105 Page:8007-8013
ISSN:1520-6106
Container-title:The Journal of Physical Chemistry B
language:en
Short-container-title:J. Phys. Chem. B

Author:

Iarlori S.¹,Ceresoli D.¹,Bernasconi M.¹,Donadio D.¹,Parrinello M.¹

Affiliation:

1. Pirelli Cavi e Sistemi S.p.a., Viale Sarca 222, I-20126 Milano, Italy, Istituto Nazionale per la Fisica della Materia and Dipartimento di Scienza dei Materiali, Universitá di Milano-Bicocca, Via Cozzi 53, I-20126 Milano, Italy, and Max-Planck-Institut für Festkörperforschung, Heisenbergstr. 1, D-70569 Stuttgart, Germany

Publisher

American Chemical Society (ACS)

Subject

Materials Chemistry,Surfaces, Coatings and Films,Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp010800b

Reference54 articles.

1. Unified Approach for Molecular Dynamics and Density-Functional Theory

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