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Surface acidity of 2:1-type dioctahedral clay minerals from first principles molecular dynamics simulations

  • Published:2014-09 Issue: Volume:140 Page:410-417
  • ISSN:0016-7037
  • Container-title:Geochimica et Cosmochimica Acta
  • language:en
  • Short-container-title:Geochimica et Cosmochimica Acta

Author:

Liu Xiandong,Cheng Jun,Sprik Michiel,Lu Xiancai,Wang Rucheng

Funder

National Science Foundation of China

Foundation for the Author of National Excellent Doctoral Dissertation of PR China

State Key Laboratory for Mineral Deposits Research

Publisher

Elsevier BV

Subject

Geochemistry and Petrology

Reference53 articles.

1. Clay minerals as catalysts;Adams,2006

2. Development of a reactive force field for iron-oxyhydroxide systems;Aryanpour;J. Phys. Chem. A,2010

3. Adsorption of Zn2+ on the (110) Surface of TiO2 (rutile): a density functional molecular dynamics study;Bandura;J. Phys. Chem. C,2011

4. Density-functional exchange-energy approximation with correct asymptotic-behavior;Becke;Phys. Rev. A,1988

5. General introduction: clays, clay minerals, and clay science;Bergaya,2006
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