Ab initio studies of Ti2S3 as a new cathode material for magnesium secondary batteries
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DOI: 10.1016/j.mtcomm.2019.100598
Abstract: Abstract In this work, we use spin unpolarized van der Waals-corrected static for the comparative study of highly defective TiS2 with Ti2S3 stoichiometry and stoichiometric TiS2, a well-known compound studied experimentally. Our study predicts that… read more here.
Keywords: new cathode; initio studies; tis2; studies ti2s3 ... See more keywords