Calcite (104) Surface–Electrolyte Structure: A 3D Comparison of Surface X-ray Diffraction and Simulations-Reference-Cited by-同舟云学术

Calcite (104) Surface–Electrolyte Structure: A 3D Comparison of Surface X-ray Diffraction and Simulations

Published:2020-07-28 Issue:34 Volume:124 Page:18564-18575
ISSN:1932-7447
Container-title:The Journal of Physical Chemistry C
language:en
Short-container-title:J. Phys. Chem. C

Author:

Brugman Sander J. T.¹,Raiteri Paolo²^ORCID,Accordini Paolo¹,Megens Frank¹,Gale Julian D.²^ORCID,Vlieg Elias¹^ORCID

Affiliation:

1. Institute for Molecules and Materials, Radboud University, Heyendaalseweg 135, 6525 AJ Nijmegen, The Netherlands

2. Curtin Institute for Computation/The Institute for Geoscience Research (TIGeR), School of Molecular and Life Sciences, Curtin University, P.O. Box U1987, Perth, 6845 Western Australia, Australia

Funder

Australian Research Council

Nederlandse Organisatie voor Wetenschappelijk Onderzoek

Publisher

American Chemical Society (ACS)

Subject

Surfaces, Coatings and Films,Physical and Theoretical Chemistry,General Energy,Electronic, Optical and Magnetic Materials

Link

http://pubs.acs.org/doi/pdf/10.1021/acs.jpcc.0c04094

Reference70 articles.

1. Surface X-ray diffraction

2. X-ray Reflectivity as a Probe of Mineral-Fluid Interfaces: A User Guide

3. Is the Calcite–Water Interface Understood? Direct Comparisons of Molecular Dynamics Simulations with Specular X-ray Reflectivity Data

4. Simulations of the Quartz(101̅1)/Water Interface: A Comparison of Classical Force Fields, Ab Initio Molecular Dynamics, and X-ray Reflectivity Experiments

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