Ab Initio Study of Hydrolysis Effects in Single and Ion-Exchanged Alkali Aluminosilicate Glasses

Autor: Khagendra Baral, Aize Li, Wai-Yim Ching
Rok vydání: 2020
Předmět:
Zdroj: The journal of physical chemistry. B. 124(38)
ISSN: 1520-5207
Popis: Hydrolysis in alkali-doped aluminosilicate glasses is one of the most complicated mechanisms in glass science. There remain many fundamental and unresolved issues with implications on their potential applications. Herein, we address this challenge by carrying out detailed calculations on the structure and properties of both anhydrate (dry) and hydrated alkali aluminosilicate glasses on carefully constructed models. Specifically, the Na-, (Na + K)-, and K-doped aluminosilicate glasses with compositions (SiO
Databáze: OpenAIRE