Designing stable closo-B12 dianions in silico for Li- and Mg-ion battery applications
Abstract
The electronic structures and key factors controlling the stability of [B 12 (ECX) 12 ] 2− were revealed. Their good stability and weak binding property towards Li + and Mg 2+ suggest their potential application in Li- and Mg-ion...
Paper Details
Title
Designing stable closo-B12 dianions in silico for Li- and Mg-ion battery applications
Published Date
Jan 1, 2021
Volume
8
Issue
24
Pages
5201 - 5208
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