Electron anions and the glass transition temperature

Proc Natl Acad Sci U S A. 2016 Sep 6;113(36):10007-12. doi: 10.1073/pnas.1606891113. Epub 2016 Aug 24.

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.

Keywords: amorphous materials; density functional theory; electrides; glass transition; molecular dynamics.

Publication types

  • Research Support, Non-U.S. Gov't