Predicting Ground-State Configurations and Electronic Properties of the Thermoelectric Clathrates Ba8AlxSi46–x and Sr8AlxSi46–x
Sign Up to like & getrecommendations! Published in 2017 at "Chemistry of Materials"
DOI: 10.1021/acs.chemmater.6b05027
Abstract: The structural and electronic properties of the clathrate compounds Ba8AlxSi46–x and Sr8AlxSi46–x are studied from first-principles, considering an Al content x between 6 and 16. Due to the large number of possible substitutional configurations, we… read more here.
Keywords: ground; ba8alxsi46 sr8alxsi46; electronic properties; state configurations ... See more keywords
Prediction of Ground State Configurations and Electrochemical Properties of Li3InCl6 Doped with F, Br, and Ga
Sign Up to like & getrecommendations! Published in 2024 at "Chinese Physics Letters"
DOI: 10.1088/0256-307x/41/5/058201
Abstract: Compared with conventional solid-state electrolytes, halide solid-state electrolytes have several advantages such as a wider electrochemical window, better compatibility with oxide cathode materials, improved air stability, and easier preparation conditions making them conductive to industrial… read more here.
Keywords: lithium ion; ground state; state configurations; state ... See more keywords