Investigation of the electronic and optical properties of Al₁₃–dianhydride complexes by (time-dependent) density functional theory

Abstract

The electronic and nonlinear optical (NLO) properties of Al13-X and 2Al13-X (where X represents dianhydrides BPDA, BTDA, ODPA, and 6FDA) were systematically investigated using (time-dependent) density functional theory methods. It...