1.个人简介和主要科研方向
毛可可，博士，讲师，硕士生导师
主要领域：基于第一性原理设计新型纳米催化剂，以及催化反应机制的理论模拟与研究
2009.09-2015.06中国科学技术大学材料物理与化学硕博连读
2018.01-2019.12美国内布拉斯加大学林肯分校化学博后
2015.6-至今安徽工业大学讲师
2.研究成果
1)科研项目
[1]主持人.衬底调控二维材料负载单原子催化剂催化性能的理论研究（**），国家自然科学基金青年基金项目，2019/01-2021/12.
[2]主持人.石墨烯基NH3-SCR低温脱硝催化的密度泛函理论研究（KJ2016A090）,安徽教育厅高校自然科学研究项目，2016/01-2017/12.
[3]参与人.改性Fe₂O₃/AC催化剂烧结烟气低温SCR脱硝活性优化机理（**），国家自然科学基金面上项目，2017/01-2019/12.
[4]参与人.衬底调控石墨烯与类石墨烯二维单层材料表面化学活性的理论研究（B030204），国家自然科学基金面上项，2016/01-2018/12.
[5]参与人.中组部青年拔尖人才支持计划（支持人武晓君180万），已结题
[6]参与人.杂化调控的石墨烯自旋电子器件的原理、设计与稳定性的理论研究（**），国家自然科学基金面上项目，2012/01-2015/12.
[7]参与人.单分子体系的非弹性电子遂穿谱的理论研究（**），国家自然科学基金面上项目，2011/01-2013/12.
2)主要论文
Wenbin Jiang , Jingxiang Low, Keke Mao(共一), Delong Duan, Shuangming Chen, Wei Liu, Chih-Wen Pao, Jun Ma, Shuaikang Sang, Chang Shu, Xiaoyi Zhan, Zeming Qi, Hui Zhang, Zhi Liu, Xiaojun Wu, Ran Long*, Li Song, and Yujie Xiong* “Pd-Modified ZnO–Au Enabling Alkoxy Intermediates Formation and Dehydrogenation for Photocatalytic Conversion of Methane to Ethylene” Journal of the American Chemical Society, 2020, DOI: 10.1021/jacs.0c10369
Yu Guo, Qisheng Wu, Yunhai Li, Ning Lu, Keke Mao, Yizhen Bai, Jijun Zhao,* Jinlan Wang* and Xiao Cheng Zeng* "Copper(I) sulfide: a two-dimensional semiconductor with superior oxidation resistance and high carrier mobility," Nanoscale Horiz. 2019, 4, 223-230.
Yu Guo, Liang Ma, Keke Mao, Minggang Ju, Yizhen Bai, Jijun Zhao* and Xiao Cheng Zeng,* “Eighteen functional monolayer metal oxides: wide bandgap semiconductors with superior oxidation resistance and ultrahigh carrier mobility,” Nanoscale Horiz. 2019, 4, 592-600.
Yang You,?, Hao Huang,?, Keke Mao,?(共一), Song Xia, Di Wu, Canyu Hu, Chao Gao, Panyiming Liu1, Ran Long,*, Xiaojun Wu, Yujie Xiong,* “Tandem nanocatalyst design: putting two step-reaction sites into one location towards enhanced hydrogen transfer reactions” SCIENCE CHINA Materials. 2019, 62(9), 1297-1305.
Keke Mao,? Wei Zhang,? Jun Dai and Xiao Cheng Zeng,* “Carbon fragments as highly active metal-free catalysts for the oxygen reduction reaction: a mechanistic study” Nanoscale, 2019, 11, 19422–19428
Wei Zhang, ? Keke Mao,?(共一) Xiao Cheng Zeng* “B Doped MnN4G Nanosheets as Bifunctional Electrocatalysts for Both Oxygen Reduction and Oxygen Evolution Reactions” ACS Sustainable Chem. Eng. 2019, 7, 18711?18717
Keke Mao, Xiaojun Wu, * and Jinlong Yang. Enhanced Selective Oxidation of h-BN Nanosheet through Substrate Mediated Localized Charge Effect. Physical Chemistry Chemical Physics, 2017, 19, 4435-4439.
Yunlan Sun, Rong Sun, Baozhong Zhu*. Keke Mao, Yuxin Wu. Thermal reaction mechanisms of nano- and micro-scale aluminum powders in carbon dioxide at low heating rate. Journal of Thermal Analysis and Calorimetry, 2016, 124(3), 1727-1734.
Keke Mao, Wenhua Zhang*, Yong Pei, Xiao Cheng Zeng, Xiaojun Wu* and Jinlong Yang. A Theoretical Study of Single-Atom Catalysis of CO Oxidation Using Au Embedded 2D h-BN Monolayer: A CO-Promoted O2 Activation. SCIENTIFIC REPORTS 2015, 4:5441.
Liang Ma, Chengming Wang, Bao Yu Xia, Keke Mao, Jiawei He, Xiaojun Wu, Yujie Xiong,* and Xiong Wen (David) Lou*. Platinum Multicubes Prepared by Ni2+-Mediated Shape Evolution Exhibit High Electrocatalytic Activity for Oxygen Reduction Angew. Chem. Int. Ed. 2015, 54(19), 5666.
Ran Long, Zhoulv Rao, Keke Mao, Yu Li, Chao Zhang, Qiliang Liu, Chengming Wang, Zhi-Yuan Li, Xiaojun Wu, and Yujie Xiong*. Efficient Coupling of Solar Energy to Catalytic Hydrogenation by Using Well-Designed Palladium Nanostructures. Angew. Chem. Int. Ed. 2015, 54(8), 2425-2430.
Ran Long,# Keke Mao#(共同第一作者), Ming Gong, Shan Zhou, Jiahua Hu, Min Zhi, Yang You, Song Bai, Jun Jiang, Qun Zhang,* Xiaojun Wu*, and Yujie Xiong*. Tunable Oxygen Activation on Pd-TiO2 Hybrid Structures: Schottky Junction versus Plamonic Effects. Angew. Chem. Int. Ed. 2014, 53, 1-6.
Ran Long , Keke Mao , Xiaodong Ye , Wensheng Yan , Yaobing Huang , Jianyong Wang , Yao Fu , Xisheng Wang , Xiaojun Wu , Yi Xie, and Yujie Xiong*. Surface facet of palladium nanocrystals: a key parameter to the activation of molecular oxygen for organic catalysis and cancer treatment. Journal of the American Chemical Society 2013, 135(8), 3200-3207.