Diffusion of protons and sodium ions in silicophosphate glasses: insight based on first-principles molecular dynamic simulations
Author:
Affiliation:
1. Department of Life Science and Applied Chemistry
2. Nagoya Institute of Technology
3. Nagoya
4. Japan
5. Department of Physical Science and Engineering
Abstract
We propose a microscopic diffusion mechanism of protons and Na+ ions in phosphate glasses using first-principles molecular dynamic simulations.
Funder
Ministry of Education, Culture, Sports, Science and Technology
Publisher
Royal Society of Chemistry (RSC)
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://pubs.rsc.org/en/content/articlepdf/2021/CP/D1CP01646F
Reference45 articles.
1. The mobility of proton carriers in phosphate glasses depends on polymerization of the phosphate framework
2. Protonic conduction in oxide glasses: simple relations between electrical conductivity, activation energy, and the o-h bonding state
3. Protonic Conduction in Phosphate Glasses
4. Superprotonic Conductors of Glassy Zirconium Phosphates
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1. Study of Diffusion in Sodium Silicate Glass Using Molecular Dynamics Simulation;Silicon;2024-07-26
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4. Structure and dissolution of silicophosphate glass;RSC Advances;2022
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