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办公地点：我校学 实验二楼108
办公电话：021-64253964
一、研究方向：
1、原子分子团簇结构与物理化学奇异性质
2、石墨烯与石墨炔基新型纳米材料设计与性能调控
二、团队介绍:
我校学物理系团簇物理课题组目前共有教师5人，其中教授1人，副教授1人，讲师3人，全部具有博士学位。他们分别是：
罗有华，男，1965年3月生，教授，博士生导师。1999年毕业于南京大学，获凝聚态物理专业博士学位。E-mail: yhluo@ecust.edu.cn
张 孟，男，1978年3月生，副教授，硕士生导师。2006年毕业于北京理工大学，获物理电子学专业博士学位。E-mail: mzhang@ecust.edu.cn
冯晓娟，女，1975年4月生，讲师。2009年毕业于我校学，获物理化学专业博士学位。E-mail:xjfeng@ecust.edu.cn
赵丽霞，女，1980年1月生，讲师。2010年毕业于我校学，获物理化学专业博士学位。E-mail:zlx@ecust.edu.cn
张红雨，女，1979年7月生，讲师。2011年毕业于山东大学，获凝聚态物理专业博士学位。E-mail:zhanghongyu@ecust.edu.cn
团队成员近几年在Physical Review A/B， Nanoscale，Small，Journal of Physical Chemistry A/C, Journal of Chemical Physics, Physical Chemistry Chemical Physics等国际知名刊物上发表SCI检索论文50余篇，主持多项国家自然科学基金、上海市自然科学基金等省部级以上项目。
三、平台介绍:
课题组建有“浪潮天梭TS10000”高性能计算服务器集群，同时购买了我校学“曙光4000A”和“曙光5000”高性能计算服务器上部分计算资源。计算软件有MedeA，Gaussian09，Materials Studio，ADF等商业计算软件。
四、近期发表的部分论文：
1. Graphdiyne: A promising anode material for lithium ion batteries with high capacity and rate capability Hongyu Zhang, Yueyuan Xia, Hongxia Bu, Xiaopeng Wang, Meng Zhang, Lixia Zhao, and You-Hua Luo, Mingwen Zhao Journal of Applied Physics 113, 044309 (2013)
2. Stuffed cage structures and properties of neutral and charged Au38 nanocluster Lixia Zhao, Meng Zhang, Xiaojuan Feng, Hongyu Zhang, Wenli Zhang, and You-Hua Luo Journal of Cluster Science 24, 123 (2013)
3. Structural stability and electronic properties of small gold clusters induced by 3p electron atoms Meng Zhang, Subin Yang, Xiaojuan Feng, Lixia Zhao, Hongyu Zhang and You-Hua Luo European Physical Journal D 67, 11 (2013)
4. Ultra-high hydrogen storage capacity of Li-decorated graphyne: A first-principles prediction Hongyu Zhang, Mingwen Zhao, Hongxia Bu, Xiujie He, Meng Zhang, Lixia Zhao, and You-Hua Luo Journal of Applied Physics 112, 084305 (2012)
5. Tunable hydrogen separation in sp-sp2 hybridized carbon membranes: a first-principles prediction Hongyu Zhang, Xiujie He, Mingwen Zhao, Meng Zhang, Lixia Zhao, Xiaojuan Feng, and You-Hua Luo Journal of Physical Chemistry C 116, 16634 (2012)
6. Low-energy isomer identification, structural evolution and magnetic properties in manganese-doped gold clusters MnAun (n=1-16) Meng Zhang, Hongyu Zhang, Lina Zhao, Yan Li, and You-Hua Luo Journal of Physical Chemistry A 116, 1493 (2012)
7. Exploring stability of 32-atom gold-silver mixed clusters
Qingming Deng, Lixia Zhao, Xiaojuan Feng, Meng Zhang, Wenli Zhang, Bin Fang, and You-Hua Luo Computational and Theoretical Chemistry 976, 183 (2011)
8. Carbon-tuned bonding method significantly enhanced the hydrogen storage of BN-Li complexes Qingming Deng, Lina Zhao, You-Hua Luo, Meng Zhang, Lixia Zhao, Yuliang Zhao Nanoscale 11, 4824 (2011)
9. Ferromagnetism/antiferromagnetism transition between semihydrogenated and fully-aminated single-wall carbon nanotubes Qingming Deng, Lina Zhao, You-Hua Luo, Meng Zhang, Long Jing, Yuliang Zhao Nanoscale 9, 3743 (2011)
10. Structural Growth Sequences and Electronic Properties of Lanthanum Doped Gold Clusters Lixia Zhao, Xiaojuan Feng, Meng Zhang, and You-Hua Luo
Journal of Cluster Science 21, 701 (2010)
11. Geometric structures and dipole moments of Pbn (n=13-18) clusters from ab initio quantum-chemical calculations Yongmin Lei, Lixia Zhao, Xiaojuan Feng, Meng Zhang, and You-Hua Luo Journal of Molecular Structure-Theochem 948, 11 (2010)
12. Structures and electronic properties of MAu6 (M=Al, Si, P, S, Cl, Ar) clusters: a density functional theory investigation Meng Zhang, Sun Chen, Qingming Deng, Liming He, Lina Zhao, and You-Hua Luo European Physical Journal D 58, 117 (2010)