Structure and Energetics of SiO2 Polymorphs by Quantum-Mechanical and Semiclassical Approaches
Author:
Affiliation:
1. Dipartimento di Scienza dei Materiali, Università di Milano Bicocca, via Cozzi 53, 20125 Milano, Italy, and Dipartimento di Chimica Inorganica, Fisica e dei Materiali, Università di Torino, via Giuria 5, 10125 Torino, Italy
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/jp000160x
Reference38 articles.
1. A periodic ab initio study of the structure and relative stability of silica polymorphs
2. Demuth, Th.; Jeanvoine, Y.; Hafner, J. Ángyán, J. G.J. Phys. Condens. Matter1999,11, 3833.
3. Interatomic potentials for SiO2
4. Computer Simulation Studies of Zeolite Structure
Cited by 41 articles. 订阅此论文施引文献 订阅此论文施引文献,注册后可以免费订阅5篇论文的施引文献,订阅后可以查看论文全部施引文献
1. Origin of the elastic anisotropy of silica particles: Insights from first-principles calculations and nanoindentation molecular dynamic simulations;Computers and Geotechnics;2023-07
2. Bi-doped silica glass: A combined XPS – DFT study of electronic structure and pleomorphic imperfections;Journal of Alloys and Compounds;2020-07
3. Ab Initio Study of Elastic Properties of High-Pressure Polymorphs of CO2 Phases II and V;The Journal of Physical Chemistry C;2016-09-30
4. Ab initio parameterization of a charge optimized many-body forcefield for Si–SiO2: Validation and thermal transport in nanostructures;The Journal of Chemical Physics;2016-03-14
5. Raman spectroscopic features of the neutral vacancy in diamond from ab initio quantum-mechanical calculations;Physical Chemistry Chemical Physics;2016
1.学者识别学者识别
2.学术分析学术分析
3.人才评估人才评估
"同舟云学术"是以全球学者为主线,采集、加工和组织学术论文而形成的新型学术文献查询和分析系统,可以对全球学者进行文献检索和人才价值评估。用户可以通过关注某些学科领域的顶尖人物而持续追踪该领域的学科进展和研究前沿。经过近期的数据扩容,当前同舟云学术共收录了国内外主流学术期刊6万余种,收集的期刊论文及会议论文总量共计约1.5亿篇,并以每天添加12000余篇中外论文的速度递增。我们也可以为用户提供个性化、定制化的学者数据。欢迎来电咨询!咨询电话:010-8811{复制后删除}0370
www.globalauthorid.com
TOP
Copyright © 2019-2024 北京同舟云网络信息技术有限公司 京公网安备11010802033243号 京ICP备18003416号-3