Characterization of a Li₄TiO₄ Tritium Breeder by First-Principles Calculation and an Experimental Approach

Abstract

A tetralithium titanium (Li 4 TiO 4 ) compound is a tritium breeder material that deserves serious consideration for the fusion reactor blanket concept because of its high lithium density. In the current research, an experimental investigation was conducted for the first time to verify the calculated simulation results. First, the lattice parameters, energy band structures, and thermodynamic properties of Li 4 TiO 4 are investigated by means of first-principles density functional theory. Then, the Li 4 TiO 4 powder was synthesized via a solid-state reaction. Subsequently, the samples were systematically characterized using various measurement techniques. The products of the ultraviolet diffuse reflection spectrum, Raman spectroscopy, and laser thermal conductivity are consistent with the theoretical calculations.

Embedding Te4+ into Sn4+-Based Metal Halide To Passivate Structure Defects for High-Performance Light-Emitting Application

“…Flat bands can often be seen in 0D metal halides with highly localized excitons because of the broken polyhedral connection networks. This indicates that the intermolecular coupling is negligible, which is conducive to efficient emission. − The DOS of (C 4 H 7 N 2 ) 2 SnCl 6 shown in Figure e indicates that the corresponding VBM is mainly composed of the Sn-5s and Cl-3p orbitals, and the CBM is mainly contributed by organic cation [C 4 H 7 N 2 ] + . After embedding Te 4+ , the resultant CBM is mainly composed of Te-5p and Cl-3p orbitals, and the VBM is mainly composed of Te-5p, Cl-3p, and organic cation [C 4 H 7 N 2 ] + (Figure f).…”