Decomposition Mechanism of Zinc Ammine Borohydride: A First-Principles Calculation
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DOI: 10.1021/acs.jpcc.8b00455
Abstract: The decomposition mechanism of zinc ammine borohydride ([Zn(NH3)2][BH4]2) has been studied by density functional theory calculation. The release of B2H6 and BH3 is predicted to be kinetically and/or thermodynamically unfavorable for [Zn(NH3)2][BH4]2, in agreement with… read more here.
Keywords: ammine borohydride; calculation; mechanism zinc; zinc ammine ... See more keywords