研究领域
第一性原理计算，多相催化，低链烷烃催化转化和电子结构计算
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XiaoYing Sun, Bo Li and DangSheng Su, The unexpected reactivity of the carbon sites on the nanostructured carbon catalysts towards the C-H bond activation from the analysis of the aromaticity, Chemistry - An Asian Journal, 2016, DOI: 10.1002/asia.201600222R1
XiaoYing Sun, Bo Li, TianFu Liu, Jian Song and DangSheng Su, “Design the graphene as a new Frustrated Lewis Pair catalyst for the hydrogen activation by co-doping”, Physical Chemistry Chemical Physics, 18, 11120（2016）
XiaoYing Sun, Bo Li and DangSheng Su, “Revealing the nature of the active site on the carbon catalyst for the C?H bond activation”, Chemical Communications, 50, 11016 (2014).
XiaoYing Sun, Bo Li and Horia Metiu, “Methane Dissociation on Li-, Na-, K-, and Cu-doped Flat and Stepped CaO(001)”, Journal of Physical Chemistry C, 117, 7114 (2013).
XiaoYing Sun, Bo Li and Horia Metiu, “Ethane Activation by Nb-Doped NiO”, Journal of Physical Chemistry C, 117, 23597 (2013).
孙晓颖，苏党生，纳米碳催化与金属氧化物催化的比较，纳米碳催化, 苏党生. 科学出版社, pp 346-367, 中国, 2014/8
李波，孙晓颖，苏党生，纳米碳催化的理论计算，纳米碳催化, 苏党生. 科学出版社, pp 101-137, 中国, 2014/8
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