曹宵鸣副教授

曹宵鸣 博士,男, 汉族, 1983年2月生

  副教授,硕士生导师。
  Tel.: +86-(0)21-64253457   Email: xmcao@ecust.edu.cn
  联系地址:上海市梅陇路130号华东理工大学实验十四楼307室
  教育及工作经历:
  2001.9-2005.6 复旦大学化学系                                理学学士
  2005.9-2008.5 复旦大学化学系                                物理化学专业硕士研究生
  2008.6-2011.7  英国贝尔法斯特女王大学化学与化学工程学院         理学博士
  2011.7-2014.8         华东理工大学工业催化研究所&计算化学中心         讲师
  2014.9-至今            华东理工大学工业催化研究所&计算化学中心                     副教授
  主要研究方向及学术成绩:
  专业研究方向为理论催化和计算化学,主要从事利用密度泛函理论量子化学计算结合微动力学分析从多尺度进行多相催化以及电催化的反应过程理论计算模拟研究和催化剂理论设计的研究工作,探索催化反应反应机理活性选择性变化规律,发展新的理论方法拓展研究体系从气固界面至液固界面,并对多相催化剂理性筛选方法开展了一定研究。
  近5年内在物理化学及催化化学领域内国际专业著名期刊共发表SCI论文17篇,其中15篇IF值大于4,第一作者和通讯作者论文8篇,包括J.  Am. Chem. Soc.,Chem. Commun.,Sci. Rep.,J. Phys. Chem. C,Phys. Chem.  Chem.  Phys.等。目前主持国家自然科学基金青年项目、上海市自然科学基金青年项目各1项,入选上海市高校青年教师培养资助计划,担任国家自然科学基金重点项目子课题负责人1项。主讲本科《材料科学基础》课程。

  代表性论文:
  1. Yang  Lou, Xiao-Ming Cao (co-first author), Yun Guo*,et al.  Ultralow-temperature CO oxidation on an In2O3–Co3O4 catalyst: a strategy  to tune CO adsorption strength and oxygen activation simultaneously  (cover paper) Chem. Commun., 2014, 50(52), 6835-6838.
  2. Jialong  Liu, Xiao-Ming Cao*, P. Hu* Density Functional Theory Study on the  Activation of Molecular Oxygen on Stepped Gold Surface in Aqueous  Environment: A New Approach for Simulating Reactions in Solution  Phys.  Chem. Chem. Phys. 2014, 16(9), 4176-4185.
  3. Bo Yang, Xiao-Ming  Cao*, P. Hu* et al. Evidence to Challenge the Universality of the  Horiuti-Polanyi Mechanism for Hydrogenation in Heterogeneous Catalysis:  Origin and Trend of the Preference of a Non-Horiuti-Polanyi Mechanism J.  Am. Chem. Soc. 2013, 135 (40), 15244-15250. (Highlighted by Nature  China)
  4. Hui Liu, Xiaoming Cao (co-first author), et al.  Dendrimer-mediated hydrothermal synthesis of ultrathin gold nanowires  Sci. Rep. 2013, 3, 3181.
  5. Ziyun Wang, X.-M. Cao* et al. Identify  the Trend of Reactivity for sp2 materials: Electron Delocalization  Model from First Principles Calculations Phys. Chem. Chem. Phys. 2013,  15(24), 9498 - 9502.
  6. Xiao-Ming Cao, P. Hu * et al. Density  Functional Theory Study on the Cleavage Mechanism of the Carbonyl Bond  in Amides on Flat and Stepped Ru Surfaces: Hydrogen-Induced or Direct  C−O Bond Breaking? J. Phys. Chem. C 2012, 116(35), 18713-18721.
  7. Richard  Kavanagh, Xiao-Ming Cao, et al.  Origin of Low CO2 Selectivity on  Platinum in the Direct Ethanol Fuel Cell Angew. Chem. Int. Ed. 2012,  51(7), 1572-1575.
  8. Liang Yu, Xiulian Pan, Xiao-Ming Cao, P. Hu  and Xinhe Bao Oxygen reduction reaction mechanism on nitrogen-doped  graphene: A density functional theory study J. Catal. 2011, 282(1),  183–190.
  9. R. Burch, C. Paun, X.-M. Cao, et al. Catalytic  hydrogenation of amides at low temperatures and pressures using  bimetallic Pt/Re based catalysts J. Catal. 2011, 283(1), 89–97.
  10. Xiao-Ming  Cao, P. Hu* et al. Reaction Mechanisms of Crotonaldehyde Hydrogenation  on Pt(111): Density Functional Theory and Microkinetic Modeling J. Phys.  Chem. C 2011, 115 (40), 19819–19827.
  11. Xiao-Ming Cao, P. Hu* et  al. An understanding of chemoselective hydrogenation on crotonaldehyde  over Pt(111) in the free energy landscape: The microkinetics study based  on first-principles calculations Catal. Today 2011, 165(1), 71-79.