| Literature DB >> 27559083 |
Lewis E Johnson1, Peter V Sushko2, Yudai Tomota3, Hideo Hosono4.
Abstract
Properties of glasses are typically controlled by judicious selection of the glass-forming and glass-modifying constituents. Through an experimental and computational study of the crystalline, molten, and amorphous [Ca12Al14O32](2+) ⋅ (e(-))2, we demonstrate that electron anions in this system behave as glass modifiers that strongly affect solidification dynamics, the glass transition temperature, and spectroscopic properties of the resultant amorphous material. The concentration of such electron anions is a consequential control parameter: It invokes materials evolution pathways and properties not available in conventional glasses, which opens a unique avenue in rational materials design.Entities:
Keywords: amorphous materials; density functional theory; electrides; glass transition; molecular dynamics
Year: 2016 PMID: 27559083 PMCID: PMC5018745 DOI: 10.1073/pnas.1606891113
Source DB: PubMed Journal: Proc Natl Acad Sci U S A ISSN: 0027-8424 Impact factor: 11.205