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The Journal of Physical Chemistry B, 9 January 2025, Volume 129, Issue 1

The Journal of Physical Chemistry B, 9 January 2025, Volume 129, Issue 1

Posted on 2025/01/09

by sg_portfolio

[6]Si
Atomic Energy Analysis
Bridging Oxygen
Coordination Number Transition
First-Principles Calculations
Glass Structure Stabilization
Molecular Dynamics Simulations
Nonbridging Oxygen
P-Qn Structural Change
P₂O₅ Content
Phosphorus Pentoxide
Silicophosphate Glasses
Six-Coordinated Silicon

ACS
The Journal of Physical Chemistry B

Journal: The Journal of Physical Chemistry B
Publisher: ACS
Article Title: First-Principles Study on Formation Mechanism of Six-Coordinated Si in Silicophosphate Glass
Authors: Arata Sakakibara, Tomoyuki Tamura, Kazuya Takada and Toshihiro Kasuga
Paper link: https://pubs.acs.org/doi/full/10.1021/acs.jpcb.4c04427
Journal issue link: https://pubs.acs.org/toc/jpcbfk/129/1?ref=breadcrumb