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Royal Society of Chemistry, Journal of Materials Chemistry C Materials for optical and electronic devices, 45(7), p. 14342-14349, 2019

DOI: 10.1039/c9tc04150h

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Electronic shell structures, self-trapped excitons, and defect-bound excitons in Li2B12H12

Journal article published in 2019 by Mao-Hua Du ORCID, Hongliang Shi ORCID, S. B. Zhang
This paper was not found in any repository, but could be made available legally by the author.
This paper was not found in any repository, but could be made available legally by the author.

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Abstract

First-principles studies of electronic structures, excitons, and defects in Li2B12H12 reveal unique photophysical properties of Li2B12H12 and its potential as a neutron scintillator material.