Structure, Kinetics, and Thermodynamics of Water and Its Ions at the Interface with Monoclinic ZrO2 Resolved via Ab Initio Molecular Dynamics-Reference-Cited by-同舟云学术

Structure, Kinetics, and Thermodynamics of Water and Its Ions at the Interface with Monoclinic ZrO2 Resolved via Ab Initio Molecular Dynamics

Published:2021-07-07 Issue:28 Volume:125 Page:15233-15242
ISSN:1932-7447
Container-title:The Journal of Physical Chemistry C
language:en
Short-container-title:J. Phys. Chem. C

Author:

Yang Jing¹^ORCID,Youssef Mostafa¹²³^ORCID,Yildiz Bilge¹²^ORCID

Affiliation:

1. Laboratory for Electrochemical Interfaces, Department of Materials Science and Engineering, Massachusetts Institute of Technology, 77 Massachusetts Avenue, Cambridge, Massachusetts 02139, United States

2. Department of Nuclear Science and Engineering, Massachusetts Institute of Technology, 77 Massachusetts Avenue, Cambridge, Massachusetts 02139, United States

3. Department of Mechanical Engineering, The American University in Cairo, AUC Avenue, P.O. Box 74, New Cairo 11835, Egypt

Funder

U.S. Department of Energy

Publisher

American Chemical Society (ACS)

Subject

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

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpcc.1c02064

Reference53 articles.

1. Corrosion of Zirconium Alloys Used for Nuclear Fuel Cladding

2. Some thoughts on the mechanisms of in-reactor corrosion of zirconium alloys