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Zhou, Linsen ; Jiang, Bin ; Alducin, Maite ; Guo, Hua ( , The Journal of Chemical Physics)
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Feng, Yingxin ; Zhou, Linsen ; Wan, Qiang ; Lin, Sen ; Guo, Hua ( , Chemical Science)
The active-site structure, reaction mechanism, and product selectivity of the industrially important selective hydrogenation of 1,3-butadiene are investigated using first principles for an emerging single-atom Pd catalyst anchored on graphene.
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Zhou, Linsen ; Zhou, Xueyao ; Alducin, Maite ; Zhang, Liang ; Jiang, Bin ; Guo, Hua ( , The Journal of Chemical Physics)
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Thompson, Kristopher M. ; Gao, Yide ; Marshall, Paul ; Wang, Han ; Zhou, Linsen ; Li, Yongle ; Guo, Hua ( , The Journal of Chemical Physics)