Nickel-decorated B12P12 nanoclusters as a strong adsorbent for SO2 adsorption: Quantum chemical calculations
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DOI: 10.1139/cjp-2017-0119
Abstract: In this study, we have researched the interaction of SO2 molecule onto boron phosphide (B12P12) and Ni-decorated B12P12 nanoclusters using density functional theory (DFT). While SO2 has weak physisorption on the surface of pristine B12P12… read more here.
Keywords: b12p12 nanoclusters; decorated b12p12; so2 adsorption; so2 ... See more keywords