个人简介

2012年获得新加坡南洋理工大学博士学位。2011年9月至2012年8月在新加坡科学技术研究局高性能计算研究所从事博士后工作。2012年9月加入南京工业大学工作。主持国家自然科学基金面上项目、青年项目、中国博士后基金及横向项目10余项。入选江苏省“六大人才高峰”高层次人才、“双创计划”科技副总、扬州市“绿扬金凤计划”优秀博士等人才项目。 教学工作： 主讲本科生《物理化学》、《物理化学实验》和研究生《高等物理化学II》、《量子化学计算》等课程。主持省级教学教改课题1项、校级4项，指导大学生创新创业训练计划省级2项、校级6项，主编（排名第二）《Physical Chemistry》江苏省高校重点教材一部，参编《物理化学》和《物理化学实验》教材两部。 科研工作： 主要从事碳纳米材料（碳纳米管、石墨烯、碳团簇和异质结）的沉积、成核和生长机理及其调控机制和新型催化剂（单原子金属、纳米团簇、纳米棒等）的设计及其催化反应机理的相关研究。迄今在如Nature Commun、Angew Chem Int Edit、ACS Catal、ACS Nano、J Phys Chem Lett、Carbon、Energy Environ Sci、Small、Chem Commun、Phys Chem Chem Phys、J Comput Chem、 J Phys Chem A、J Chem Phys和Theor Chem Acc等期刊发表SCI论文65篇，被引1500余次，H-Index 18。其中高被引用论文4篇，被作为亮点再次报道3篇。现为Theoretical and Computational Chemistry (specialty section of Frontiers in Chemistry) 编委会评论编辑，《当代化工研究》编辑委员会委员，Carbon、Nano Scale、J Phys Chem、Inorg Chem Front、Theor Chem Acc等期刊审稿人。 主持科研项目 (1)国家自然科学面上基金《可控生长石墨烯的理论研究》 （No. 21373112， 2014/01--2017/12）在研，主持； (2)国家自然科学青年基金《手性控制生长单壁碳纳米管的理论研究》 （No. 21203094， 2013/01--2015/12） 已结题，主持； (3)中国博士后科学基金第59批面上基金，2016M591834，在研，主持； (4)南京工业大学人才启动基金和南京工业大学人才团队计划培育项目。

研究领域

(1) 新碳材料（碳纳米管、石墨烯、碳团簇和碳纳米带）的沉积、成核和生长机理及其调控机制的理论计算研究； (2) 新颖碳功能材料的设计及其电子结构、光学、电学和磁学性质的理论计算研究； (3) 新颖重要分子簇、自由基的结构、成键性质、稳定性、势能面和反应机理的量子化学计算研究。 (4) 新型催化剂（单原子、core-shell纳米团簇、纳米棒等）的设计及其结构稳定性、催化活性、选择性和反应机理的理论计算研究。

主要从事理论计算化学/材料模拟计算的相关研究

近期论文

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Pengfei Liu, Yanhui Yang, Qiang Wang,* Mechanism insights into direct conversion of syngas into C2 oxygenates via key intermediate C2O2 over Ni-Supported graphene, Carbon, 175, 322-333, 2021. Wenjuan Liu,* Xiao Chen, Xiaoyong Ding, Qiang Long, Xiaolong Lu,* Qiang Wang,* and Zhongwei Guab, Visible-light-driven cuprous oxide nanomotors with surface-heterojunction-induced propulsion, Nanoscale Horizons, DOI: 10.1039/d0nh00663g, 2021. Jianmei Huang, Qiang Wang,* Pengfei Liu, Guang-hui Chen and Yanhui Yang,* Tuning adlayer-substrate interactions of graphene/h-BN heterostructures on Cu(111)–Ni and Ni(111)–Cu surface alloys, RSC Adv., 11, 1916–1927, 2021. Hengyue Xu, Pengfei Liu, Wenjie Zhang, Qiang Wang,* Yanhui Yang,* Structure, stability, electronic and magnetic properties of monometallic Pd, Pt, and bimetallic Pd-Pt core–shell nanoparticles, Chem. Phys., 539, 110953, 2020. Haoyun Lu, Mengqi Qian, Qiang Wang,* Yanhui Yang, Direct ring-open mechanism of pyridine formation by replacement of one carbon in benzene with one nitrogen atom, J. Phys. Org. Chem., e4061, 2020. Xueqing Gao, Yingdong Chen, Tong Sun, Jianmei Huang, Wei Zhang,* Qiang Wang,* and Rui Cao,* Karst landform-featured monolithic electrode for water electrolysis in neutral media, Energy Environ. Sci, 13(1), 174-182, 2020. （高被引论文） Qiang Wang,* Pengfei Liu, Xin Bian, Jianmei Huang, Wei-qi Li, Guang-hui Chen, Yanhui Yang,* Adlayer-substrate interactions in controlled growth of graphene/h-BN heterostructure on Ni(111) and Cu(111) surfaces, Appl. Surf. Sci., 480, 154-161, 2019. Zhiyan He, Baoqiang Dong, Wenli Wang, Guangxing Yang, Yonghai Cao, Hongjuan Wang, Yanhui Yang, Qiang Wang,* Feng Peng, and Hao Yu,* Elucidating Interaction between Palladium and N‑Doped Carbon Nanotubes: Effect of Electronic Property on Activity for Nitrobenzene Hydrogenation, ACS Catal, 9(4), 2893-2901, 2019. Xiaoshan Wang, Zhiwei Wang, Jindong Zhang, Xiang Wang, Zhipeng Zhang, Jialiang Wang, Zhaohua Zhu, Zhuoyao Li, Yao Liu, Xuefeng Hu, Junwen Qiu, Guohua Hu, Bo Chen, Ning Wang, Qiyuan He, Junze Chen, Jiaxu Yan, Wei Zhang, Tawfique Hasan, Shaozhou Li, Hai Li, Hua Zhang, Qiang Wang*, Xiao Huang* & Wei Huang *, Realization of vertical metal semiconductor heterostructures via solution phase epitaxy, Nature Commun., 9(1), 3611, 2018. Qiang Wang,⁎ Xianfei Lu, Yanzhong Zhen, Wei-qi Li, Guang-hui Chen, and Yanhui Yang, Structure, stability, electronic, magnetic, and catalytic properties of monometallic Pd, Au, and bimetallic Pd-Au core-shell nanoparticles, J. CHEM. PHYS., 149, 244307, 2018. Xueqing Gao, Jing Qi, Shanhong Wan, Wei Zhang,* Qiang Wang,* and Rui Cao*, Conductive Molybdenum Sulfide for Efficient Electrocatalytic Hydrogen Evolution, Small, 14, 1803361, 2018. Qiang Wang,* Xinyan Wang, Jianlan Liu, and Yanhui Yang*，Cu-Ni core-shell nanoparticles: structure, stability, electronic, and magnetic properties: a spin-polarized density functional study，J. Nanopart. Res.，2017，19(2)，13570-13578. Lu Wang, Qiang Wang,* Jianmei Huang, Wei-qi Li, Guang-hui Chen and Yanhui Yang*，Interface and interaction of graphene layers on SiC(000-1) covered with TiC(111) intercalation，Phys. Chem. Chem. Phys.， 2017，19(39)，26765-26775. Teng Wang, Yajun Zheng, Xiaoting Wang, Qiang Wang,* Congyu Ke,Daniel E. Austin,* Xiaoxiao Han and Zhiping Zhang*，Abnormal adsorption and desorption behavior of pharmaceutical drugs on polystyrene microspheres，Rsc Adv.，2017，7(32)，19639-19644 Xin Bian, Qiang Wang*, Xinyan Wang, Lu Wang, Wei-qi Li, Guang-hui Chen, and Hongjun Zhu*. Graphene layers on bimetallic Ni/Cu(111) surface and near surface alloys in controlled growth of graphene. RSC Adv., 6, 74973-74981,2016. Li Tao#, Qiang Wang#, (共同一作)Shuo Dou, Zhaoling Ma, Jia Huo, Shuangyin Wang and Liming Dai, Edge-rich and dopant-free graphene as a highly efficient metal-free electrocatalyst for the oxygen reduction reaction. Chem. Commun., 52, 2764-2767, 2016.（高被引论文） Qiuhong Liu, Xia Weijun, Zhenjun Wu, Jia Huo, Dongdong Liu, Qiang Wang* and Shuangyin Wang, The origin of the enhanced performance of nitrogen-doped MoS2 in lithium ion batteries. Nanotechnology, 27(17), 175402, 2016. Xiaoye Shan, Qiang Wang*, Xin Bian, Wei-qi Li, Guang-hui Chen and Hongjun Zhu*. Graphene layers on Si-face and C-face surfaces and interaction with Si and C atoms in layer controlled graphene growth on SiC substrates. RSC Adv., 5, 78625-78633,2015. Zhimin Yang, Qiang Wang*, Xiaoye Shan, Wei-qi Li, Guang-hui Chen and Hongjun Zhu*. DFT study of Fe-Ni Core-shell Nanoparticles: Stability, Catalytic Activity and Interaction with Carbon Atom for Single-walled Carbon Nanotube Growth [J]. J. Chem. Phys. 142(7): 074306, 2015. Zhimin Yang, Qiang Wang*, Xiaoye Shan, Shuo-Wang Yang and Hongjun Zhu*. Theoretical Investigation on Carbon Nucleation on Nickel Carbides at Initial Stages of Single-walled Carbon Nanotube Formation [J]. Phys. Chem. Chem. Phys. 16(36): 19654-19660, 2014. Anli Shen；Yuqin；Qiang Wang；Robert A. W. Dryfe；Xiaobing Huang；Liming Dai；Shuangyin Wang，Oxygen Reduction Reaction in a Droplet on Graphite: Direct Evidence that the Edge Is More Active than the Basal Plane，Angew. Chem. Int. Edit., 53(40), 10804–10808, 2014. Wang, Qiang; Wei, Li; Sullivan, M.; Yang, Shuo-Wang.; Chen, Yuan*, Graphene layers on Cu and Ni (111) surfaces in layer controlled graphene growth. RSC Adv., 3, 3046-3053, 2013. Wang Qiang; Wang Hong; Wei Li; Yang Shuo-Wang; Yuan Chen*, Reactive Sites for Chiral Selective Growth of Single Walled Carbon Nanotubes: A DFT Study of Ni55–Cn Complexes, J. Phys. Chem. A, 116, 11709–11717, 2012. Qiang Wang; Kok Hwa Lim; Shuo-Wang Yang; Yanhui Yang; Yuan Chen*; Atomic Carbon Adsorption on Ni Nanoclusters: A DFT Study, Theor. Chem. Acc., 128, 17-24, 2011. Wang, Qiang; Yang, Shuo-Wang; Yang, Yanhui; Chan-Park, Mary; Chen, Yuan*; Charge Transfer between Metal Clusters and Growing Carbon Structures in Chirality-Controlled Single Walled Carbon Nanotube Growth, J. Phys. Chem. Lett., 2, 1009–1014, 2011. Highlighted on NPG (Nature Publishing Group) Asia material: http://www.natureasia.com/asia-materials/highlight.php?id=936。 Wang, Qiang; Ng, Man-Fai; Yang, Shuo-Wang; Yang, Yanhui; Chen, Yuan;* The Mechanism of Single-Walled Carbon Nanotube Growth and Chirality Selection Induced by Carbon Atom and Dimer Addition, ACS Nano, 4(2) 939–946, 2010. Highlighted on Agency for Science, Technology and Research of Singapore (A*STAR): http://www.research.a-star.edu.sg/research/6181。