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Combined DFT and AIMD investigation shows enhanced hydrogen storage on borophene supported by Cu(111), indicating potential for energy applications.
Using first-principles calculations and ab initio molecular dynamics, we studied hydrogen adsorption on pristine borophene and on borophene supported by a Cu(111) surface. Pristine β 12 borophene was found to...
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Trivedi et al. (2026) studied this question.
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