基本情况

姓名：陈宏善                                         

性别：男

出生日期：1963.2

籍贯：甘肃金塔

党派：中共党员

职称：教授 博导

研究方向：原子分子与团簇物理

地址：教学9号楼 A1007   

Email:chenhs@nwnu.edu.cn                                                                                                                            

1983年西北师范大学物理专业毕业，1989年中国科学技术大学化学物理专业毕业获硕士学位，1998年中科院兰州化学物理研究所获博士学位。1998年至今任西北师范大学副教授、教授，从事物理教学及原子与分子物理研究，曾在大连化学物理研究所催化基础国家重点实验室、南京大学固体微结构国家重点实验室、瑞典哥德堡大学做访问研究；先后担任物理与电子工程学院副院长、院长。

主持完成了国家自然科学基金项目"团簇基态结构及光电性质的理论研究"、"掺杂BN/AlN纳米结构储氢性能的研究"、"含金属的轻质纳米体系吸附及解离氢的理论研究"及甘肃省科委项目"原子高离化态结构和光谱研究"、"甲烷氧化偶联Na-W-Mn/SiO2催化剂的研究"，参加了国家863项目"蛋白质折叠机理研究"，国家科委重大基金项目"甲烷临氧活化定向转化为稀烃的催化基础"，国家自然科学基金项目"多电子离子-原子碰撞的电荷转移过程研究"和"双电子复合及其相关原子过程研究"；在国内外核心期刊发表论文100余篇，教学科研成果获甘肃省科技进步二等奖一项、三等奖一项及甘肃省教学成果二等奖一项。目前主要研究工作为团簇结构性质及其与小分子的相互作用、分数阶微积分在非平衡动力学中的应用。

近期发表的主要学术论文：

Large entropy derived from low-frequency vibrations and its implications for hydrogen storage, Xiaoxia Wang, and Hongshan Chen*, Appl. Phys. Lett. 112, 093903, 2018

Prediction of the electron redundant SinNn fullerenes, Huihui Yang, Yan Song, Yan Zhang, Hongshan Chen*, Physica E: 99, 208-214, 2018

Electronic structures of Al-Si clusters and the magic number structure Al8Si4, Ning Du, Mingzhi Su & Hongshan Chen*, Molecular Physics, 116:4, 449-459,2018

Study on the Geometric and Electronic Structures of AlnSim (n=3,4,5; m=1,2,3,4) Clusters, Mingzhi Su, Ning Du, Hongshan Chen*, J. Clust. Sci. 29:141-150, 2018

Structure and stability of AlnMgm (n=4-8,m=1-3) clusters: Genetic algorithm and density functional theory approach, Jieqiong Wang, Ning Du, Hongshan Chen*, Comp. Theo. Chem. 1128 , 15-23, 2018

2017:

Covalent versus Ionic Bonding in Al-C Clusters, Ning Du, Huihui Yang, and Hongshan Chen*, J. Phys. Chem. A , 121, 4009-4018, 2017

The stabilities and electron structures of Al-Mg clusters with 18 and 20 valence electrons，Huihui Yang and Hongshan Chen*，Eur. Phys. J. D, 71, 191, 2017

The geometric and electronic structures of AlnNam (n=5,6; n+m≤10) clusters, Pengju Jing, Huihui Yang, Ning Du, Yan Zhang, Hongshan Chen*，Comp. Theo. Chem. 1117, 1–11, 2017

Dissociation of H2 on Mg-coated B12C6N6，Li Ma, Xue-Ling Jin, Hui-Hui Yang, Xiao-Xia Wang, Ning Du, and Hong-Shan Chen*, Chin. Phys. B, 26, 068801, 2017

吸附氢分子的振动态及熵的计算，王小霞,刘鑫,张琼,陈宏善，物理学报, 66, 103601, 2017

A new generalized fractional Maxwell model of dielectric relaxation, Dan Luo, HongShan Chen*, Chin. J. Phys., 55, 1998–2004, 2017

Molecular Docking toward Panchromatic Dye Sensitizers for Solar Cells Based upon Tetraazulenylporphyrin and Tetraanthracenylporphyrin, Cai-Rong Zhang, Xing-Yu Li, Yu-Lin Shen, You-Zhi Wu, Zi-Jiang Liu, and Hong-Shan Chen, J. Phys. Chem. A , 121, 2655-2664, 2017

The electronic structures and optical properties of fullerene derivatives for organic solar cells: The number and size effects of fullerene-cage, Yang Zhang, Cai-Rong Zhang, Li-Hua Yuan, Mei-Ling Zhang, Yu-Hong Chen, Zi-Jiang Liu, Hong-Shan Chen, Mat. Chem. Phys. 204,95-104, 2017

2016:

Enhanced hydrogen adsorption on Li-coated B12C6N6, Xueling Jin, Pengtang Qi, Huihui Yang, Yan Zhang, Jinyun Li, and Hongshan Chen*, J. Chem. Phys. 114, 145, 164301, 2016 (featured article, 封面文章)

Comparative study of H2 adsorption on B24N24, Al24N24 and B12Al12N24 clusters, Zhanlin Ma, Yan Zhang, Fei Li, Hongshan Chen*, Comp. Mat. Sci. 117, 71, 2016

The stabilities and electronic structures of AlnSi12-nN12 (n=0,1,2,4), Huihui Yang and Hongshan Chen*, J. Mater. Res. 31, 241, 2016 Stabilities, Vibrational States and Hydrogen Bond Characteristics of Water Clusters, Hui-hui Yang, Yan Song, Hong-shan Chen*, J. Clust. Sci. 27, 775, 2016

The electric field effect on the hydrogen storage properties of (MgO)9, Yuehong Yin, Hongshan Chen*, Comp. Theo. Chem. 1081, 1, 2016

2015:

Adsorption and dissociation of H2 on B12C6N6 cage, Xueling Jin, Huihui Yang, Yan Zhang, Hongshan Chen*, Int. J. Hydrogen Energy 40, 16347, 2015

Theoretical study of hydrogen adsorption on Ca-decorated C48B12 clusters, Pengtang Qi, Hongshan Chen*, AIP Advances, 5, 097158, 2015

Li修饰的C24团簇的储氢性能, 祁鹏堂,陈宏善,物理学报 64, 238102, 2015

利用太阳能制氢的方法及发展现状, 陈宏善,魏花花,材料导报 A 29, 36, 2015

2014:

Dissociation of H2 on carbon doped aluminum cluster Al6C, Huihui Yang, Yan Zhang, and Hongshan Chen*, J. Chem. Phys. 114, 064302, 2014

Low temperature heat capacity of water clusters, Hongshan Chen*, Klavs Hansen, Chem. Phys. Lett. 610–611, 369, 2014 Structures and bonding characters of (MgO)3n (n=2-8) clusters, Yan Zhang, Hongshan Chen*, Yuehong Yin, Yan Song, J. Phys. B: At. Mol. Opt. Phys. 47, 025102, 2014

Characteristics of hydrogen bond revealed from water clusters, Yan Song, Hongshan Chen*, Cairong Zhang, Yan Zhang, and Yuehong Yin, Eur. Phys. J. D, 68, 242, 2014

Li-coated B36N24 as potential hydrogen storage material, Pengtang Qi, Yan Zhang, Hongshan Chen*, Comp. Theo. Chem. 1047, 30, 2014 Adsorption of α-cyanoacrylic acid on anatase TiO2 (101) and (001) surfaces: a density functional theory study. Ma JG, Zhang CR, Gong JJ, Yang B, Zhang HM, Wang W, Wu YZ, Chen YH, Chen HS. J. Chem. Phy. 141, 234705, 2014

介电松弛的基本分数模型及其在频率域上的松弛特性，罗丹,陈宏善,中国科学G 44(8), 795, 2014

2011-2013:

Geometric and electronic structures of B12C6N6 fullerene, Fei Li, Yan Zhang, Hongshan Chen*, Physica E 56, 216, 2013

The Role of the Conjugate Bridge in Electronic Structures and Related Properties of Tetrahydroquinoline for Dye Sensitized Solar Cells. Cai-Rong Zhang, Li Liu, Jian-Wu Zhe, Neng-Zhi Jin, Yao Ma, Li-Hua Yuan , Mei-Lin Zhang, You-Zhi Wu , Zi-Jiang Liu and Hong-Shan Chen, Int. J. Mol. Sci. 14, 5461, 2013

H2在Al7团簇解离吸附的理论研究，李文杰,杨慧慧,陈宏善,物理学报62(5), 053601, 2013

Isothermal physical aging of PEEK and PPS investigated by fractional Maxwell model, Tingting Hou, Hongshan Chen*, Polymer. 53: 2509-2518, 2012 Thermal stability of (MgO)12 dimers, Yan Zhang,Hongshan Chen*,Eur. Phys. J. D, 66: 25, 2012

The electronic structure of HfF5- and WF5-, Hongshan Chen*, Pontus Andersson, Anton O. Lindahl, Dag Hanstorp,Chem. Phys. Lett. 511:196-200, 2011

H2在MgO 团簇吸附的从头计算研究，陈宏善, 陈华君, 物理学报60: 073601, 2011

(H2O)6的稳定结构及异构过程研究，车晓芳,陈宏善,物理学报60(4): 043601, 2011

2008-2010:

Melting of (MgO)n (n=18, 21, and 24) clusters simulated by molecular dynamics, Y. Zhang, H. S. Chen*, B. X. Liu, C. R. Zhang, X. F. Li, and Y. C. Wang, J. Chem. Phys. 132:194304, 2010

DFT and TDDFT Study on structure and properties of organic dye sensitizer TA-St-CA. Cai-Rong Zhang, Zi-Jiang Liu, Yu-Hong Chen, Hong-Shan Chen, You-Zhi Wu, WangJun Feng, Dao-Bin Wang, Current Appl. Phys. 10, 77-83, 2010

聚合物物理老化的分数阶模型, 陈宏善,侯婷婷,冯养平，中国科学G , 40(9): 1-8, 2010

聚合物损耗行为的分数阶粘弹模型,康永刚, 陈宏善, 李明明, 材料科学与工程学报，28(1):118, 2010

DFT and TDDFT study on organic dye sensitizers D5, D-ST and D-SS for solar cells. Zhang Cai-Rong, Liu Zi-Jiang, Chen Yu-Hong, Chen Hong-Shan, Wu You-Zhi, Yuan Li-Hua, J. Mol. Struct.: THEOCHEM, 899 86, 2009

(TiO2)n (n=3-6)团簇吸附水分子的理论研究，陈宏善, 孟凡顺, 李向富, 张素玲, 物理学报, 58(2):0887, 2009 (AgI)n团簇熔化行为的分子动力学模拟，李向富, 陈宏善, 孟凡顺, 刘百幸, 物理化学学报，25(1):103-106, 2009

Theoretical studies on the geometrical and electronic structures of N-methyle-3,4- fulleropyrrolidine. CaiRong Zhang, WanZhen Liang, HongShan Chen, YuHong Chen, ZhiQiang Wei, YouZhi Wu, J. Mol. Struct. 862: 98-104, 2008

亚甲基富勒烯衍生物[6,6]-苯基-C61丁酸甲酯的密度泛函研究，张材荣, 陈宏善, 陈玉红, 魏智强, 蒲忠胜, 物理化学学报，24(8):1353, 2008

Mittag-Leffler函数及其在粘弹性应力松弛中的应用，陈宏善,李明明,康永刚,张素玲,高等学校化学学报, 29(6):1271, 2008