购彩中心

2008-2011   英国贝尔法斯特女王大学化学与化学工程学院，物理化学专业，理学博士，导师: Peijun Hu

2005-2008   复旦大学化学系，物理化学专业，硕士研究生，导师：陆靖

2001-2005   复旦大学化学系，化学专业，理学学士

2023-至今    购彩中心-购彩大厅 ，教授，博士生导师

2011-2023   华东理工大学化学与分子工程学院，讲师、副教授、教授， 博士生导师

计算化学、多相催化理论、催化信息学

1. 催化反应动力学：复杂催化体系（复合材料、多孔材料、光电催化）多尺度模拟的动力学方法发展

2. 动态催化反应机理：基于人工智能方法，自动化搜索工况反应条件下动态催化过程反应机理 

3. 数据与知识共同驱动的催化剂理性设计

国家自然科学基金优秀青年科学基金（2020）

• Yifeng Liu^#, Zhaoqing Liu^#, Jian Zhang, Feng-Shou Xiao, Xiaoming Cao*, Liang Wang*, Efficient Catalytic Production of Hydrogen Peroxide Using Tin-containing Zeolite Fixed Palladium Nanoparticles with Oxidation Resistance, Angew. Chem. Int. Ed. 2023, e202312377 
  

• Lu Cheng, Xuning Chen, P Hu, Xiao-Ming Cao*, Advantages and limitations of hydrogen peroxide for direct oxidation of methane to methanol at mono-copper active sites in Cu-exchanged zeolites Chin. J. Catal. 2023, 51, 135-144.

• Baiyang Yu^#, Lu Cheng^#, Sheng Dai#, Yongjun Jiang, Bing Yang, Hong Li, Yi Zhao, Jing Xu, Ying Zhang, Chengsi Pan, Xiao-Ming Cao*, Yongfa Zhu, Yang Lou*, Silver and Copper Dual Single Atoms Boosting Direct Oxidation of Methane to Methanol via Synergistic Catalysis, Adv. Sci. 2023, 2302143.

• Xueliang Fan, Cong Liu, Boxu Gao, He Li, Yahong Zhang, Hongbin Zhang*, Qingsheng Gao*, Xiaoming Cao*, Yi Tang*, Electronic Structure Engineering of Pt Species over Pt/WO₃ toward Highly Efficient Electrocatalytic Hydrogen Evolution, Small 2023, 2301178.

• Xinyu Liu^#, Ziwei Ye^#,*, Qian Xiang^#, Zehong Xu, Wenhui Yue, Chunchun Li, Yikai Xu, Lingzhi Wang, Xiaoming Cao*, Jinlong Zhang*, Boosting electromagnetic enhancement for detection of non-adsorbing analytes on semiconductor SERS substrates Chem 2023, 9, 1464-1476.

• Li Wang^#, Wende Hu^#, Zhou Shang, Xiaoming Cao*, Yun Guo*, Jiayi Li, Qiyuan Gu, Ke Li, Xiaobo Li,  Regulating potassium state to enable the high performance of Co₃O₄ for catalytic oxidation, Fuel 2023, 335, 126968.

• Xueliang Fan^#, Cong Liu^#, Minying Wua, Boxu Gao,  Luyao Zheng, Yahong Zhang, Hongbin Zhang*, Qingsheng Gao*, Xiaoming Cao*, Yi Tang*, Synergistic effect of dual active sites over Ru/α-MoC for accelerating alkaline hydrogen evolution reaction, Appl. Catal. B: Environ. 2022, 318, 121867.

• Ying Xin, Lu Cheng, Yanan Lv, Junxiu Jia, Dongxu Han, Nana Zhang, Jin Wang, Zhaoliang Zhang*, and Xiao-Ming Cao*, Experimental and Theoretical Insight into the Facet-Dependent Mechanisms of NO Oxidation Catalyzed by Structurally Diverse Mn₂O₃ Nanocrystals, ACS Catal. 2022, 12(1), 397–410.

• Xuan Tang,^# Li Wang,^# Bing Yang,^# Chen Fei, Tingyi Yao, Wei Liu, Yang Lou*, Qiguang Dai, Yafeng Cai, Xiao-Ming Cao,* Wangcheng Zhan, Yanglong Guo, Xue-Qing Gong, Yun Guo*, Direct Oxidation of Methane to Oxygenates on Supported Single Cu Atom Catalyst, Appl. Catal. B: Environ. 2021, 285, 119827.

• Yang Lou,^# Yafeng Cai,^# Wende Hu,^# Li Wang, Qiguang Dai, Wangcheng Zhan, Yanglong Guo, Peijun Hu, Xiao-Ming Cao,* Jingyue Liu,* Yun Guo*, Identification of Active Area as Active Center for CO Oxidation over Single Au Atom Catalyst, ACS Catal. 2020, 10(11), 6094-6101.

• Wende Hu,^# Zhengjiang Shao,^# Xiao-Ming Cao,* Peijun Hu*, Multi sites vs single site for catalytic combustion of methane over Co₃O₄(110): A first-principles kinetic Monte Carlo study, Chin. J. Catal. 2020, 41(9), 1369-1377.

• Guanqun Han, Yan-Huan Jin, R. Alan Burgess, Nicholas E. Dickenson, Xiao-Ming Cao,* Yujie Sun*, Visible-Light-Driven Valorization of Biomass Intermediates Integrated with H2 Production Catalyzed by Ultrathin Ni/CdS Nanosheets, J. Am. Chem. Soc. 2017, 139(44), 15584-15587.

• Zhangping Shi, Kaiqi Nie, Zheng-Jiang Shao, Boxu Gao, Huanlei Lin, Hongbin Zhang, Bolun Liu, Yangxia Wang, Yahong Zhang, Xuhui Sun,* Xiao-Ming Cao,* P. Hu, Qingsheng Gao* and Yi Tang*, Phosphorus-Mo₂C@carbon nanowires toward efficient electrochemical hydrogen evolution: composition, structural and electronic regulation, Energy & Environ. Sci. 2017,10(5), 1262-1271.

• Jiwei Wang^#, Xiaoming Cao,^# Shichang Lv, Caiyun Zhang, Sheng Xu, Min Shi & Jun Zhang, Synthesis and structures of gold and copper carbene intermediates in catalytic amination of alkynes, Nat. Commun. 2017, 8, 14625.

• Bo Yang, Xue-Qing Gong, Hai-Feng Wang, Xiao-Ming Cao*, John Rooney, and P. Hu*, 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.

1. 《统一的催化动力学模拟程序软件》，2021SR1211682, //github.com/xmcao-ccc/scaks

2. 一种多相催化中克服表面物种快速迁移的加速模拟方法， ZL201910122197.9，曹宵鸣， 邵正将， 孙希彤， 胡培君

3. 结合ODE积分和牛顿法迭代的多相催化表面覆盖度获取方法，ZL201810863226.2，曹宵鸣 邵正将 胡培君

每年招收1名博士生，1-2名硕士生，1-2名本科生（毕业论文）。常年欢迎具有多相催化理论研究、机器学习、多尺度动力学模拟或凝聚态计算等相关背景博士后加入，共同发展，邮件（xmcao@o-bontemps.com）联系。