曹宵鸣 - 华东理工大学 - 化学与分子工程学院

个人简介

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

研究领域

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。

近期论文

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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. 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. 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) Hui Liu, Xiaoming Cao (co-first author), et al. Dendrimer-mediated hydrothermal synthesis of ultrathin gold nanowires Sci. Rep. 2013, 3, 3181. 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. 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. 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. 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. 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. 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. 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.