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Cartesian coordinates from BNPd single-atom catalysts for selective hydrogenation of acetylene to ethylene: a density functional theory study

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posted on 2018-07-05, 16:46 authored by Wanqi Gong, Lihua Kang
The reaction process and potential energy change of catalytic hydrogenation of acetylene to ethylene

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    Royal Society Open Science

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    density functional theoryselective hydrogenationB11N12Pdsingle-atom catalystethylene

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