北京理工大学化学学院研究生导师介绍：张秀辉

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姓名：张秀辉

出生年月：1979年9月

职务职称：副教授, 硕士生导师

电子邮件：zhangxiuhui@bit.edu.cn

研究方向：

1、大气气溶胶成核机制的理论研究

2、高能量密度材料的理论设计

3、功能过渡金属配位化合物的理论研究

承担课题（负责人）：

国家自然科学基金（21243008）

国家自然科学基金（21373025）

国家自然科学基金（20903010）

北京市自然科学基金（2132035）

教育部博士点新教师基金（200800071019）

获奖情况：

2013年入选北京市“英才计划”

2010年度全国百篇优秀博士学位论文提名奖

2008年北京理工大学优秀青年教师资助计划

2006年度教育部自然科学二等奖（第三完成人）

2006年度国防科学技术奖二等奖（第三完成人）

近年来以第一作者(或通讯作者)发表主要论文列表：

[1]. Zhao, Hongxia; Peng, Aiping; *Zhang, Xiuhui;Li,Qianshu; King, R. Bruce, The versatility of the boronyl (BO) and fluoroborylene (BF) ligands in binuclear cyclopentadienylpalladium chemistry,
Inorganica Chimica Acta,406,pp285-292, 2013

[2]. Wang, Congzhi; *Zhang, Xiuhui; Bai, Yang;et al.,High-spin binuclear cyclopentadienyliron chlorides: a density functional theory study, Journal of Molecular Modeling, 19(8),3077, 2013

[3]. Peng, Aiping, *Zhang, Xiuhui, Li, Qian-shu, King, R. Bruce, Schaefer, Henry F., III, Coaxial versus perpendicular structures for a range of binuclear cyclopentadienylpalladium derivatives, New
J. Chem., 37, pp 775-783, 2013/2.

[4]. Zhang, Shuai,*Zhang, Xiuhui, Li, Qian-shu, King, R. Bruce, The Versatility of the Boronyl Ligand in Binuclear Cyclopentadienylrhodium Derivatives, Polyhedron,2013,56,24-33

[5]. Zhang, Shuai, *Zhang, Xiuhui, Li, Qian-shu, King, R. Bruce, Binuclear cyclopentadienylrhodium halides and cyanides in the +2 to +3 oxidation states, Inorganica Chimica Acta, 395, pp 109-118,
2013/1.

[6]. Cao, Jie; Xu, Chong; Fan, YanXuan; *Zhang, Xiuhui, Selective Production of Electrostatically-Bound Adducts of Alkyl Cations/Polyoxoanions by the Collision-Induced Fragmentations of Their Quaternary Ammonium Counterparts, JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY,24(6),884-894,2014

[7]. Zang, Lihong, *Zhang, Xiuhui, Li, Nan, Li, Qianshu, The all non-metal homodinuclear and heterodinuclear sandwich-like compounds C2(η3-L3)2 and BN(η3-L3)2 (L=BCO, BNN and CBO), Dalton Transactions, 41(19), pp 5869-5878, 2012.

[8]. Wang, Congzhi, *Zhang, Xiuhui, Lu, Jian, Li, Qianshu, Theoretical studies on all-metal binuclear sandwich-like complexes M2(η4-E4)2(M=Al, Ga, In; E=Sb, Bi), Journal of Molecular Modeling, 18(8), pp 3577-3586, 2012/8.

[9]. Wang, Congzhi, *Zhang, Xiuhui, Li, Qian-shu, Xie, Yaoming, King, R. Bruce, Schaefer, Henry F., III, Are formal oxidation states above one viable in cyclopentadienylcopper cyanides?, Journal of Molecular Modeling, 18(6), pp 2387-2398, 2012/6.

[10]. Peng, Aiping,*Zhang, Xiuhui, Li, Qian-shu, Hu, Haixiang, Ji, Lin,Which kind of binuclear sandwich-like compound is more stable in M2(η4-E4)2 (M = B, Al, Ga; E = XYZ = BCO, BNN, CBO), the metal centered or the non-metal centered sandwich-like complex?, Computational and Theoretical Chemistry, 996, pp 37-43, 2012/9.

[11]. Wang, Congzhi, *Li, Nan, *Zhang, Xiuhui, Ji, Lin, Li, Qianshu, The first binuclear sandwich-like complexes based on the aromatic tetraatomic species, Dalton Transactions, 40(26), pp 6922-6928, 2011.

[12]. Wang, Congzhi, *Zhang, Xiuhui, Ge, Maofa, Li, Qian-shu，The first nonmetal-centered binuclear sandwich-like complexes based on the tetraatomic species E42-(E = N, P, As, Sb, Bi) and boron atoms, New J. Chem., 35, pp 2527-2533, 2011/9.

[13]. Wang, Congzhi, Li, Nan, Xia, Yu, *Zhang, Xiuhui, Ge, Maofa, Li, Qian-shu, Low-valent alkaline-earth metals in all-metal dinuclear metallocenes M2(η5-E5)2 (M = Be, Mg, Ca; E = Sb, Bi), Computational and Theoretical Chemistry, 963卷, pp 319-324, 2011/2/1.

[14]. Zhang, Xiuhui, Li, Qian-shu, Xie, Yaoming, King, R. Bruce, Schaefer, Henry F., III, Possibilities for Titanium-Titanium Multiple Bonding in Binuclear Cyclopentadienyltitanium Carbonyls: 16-Electron Metal Configurations and Four-Electron Donor Bridging Carbonyl , Inorganic Chemistry , 49(4), 1961-1975, 2010.

[15]. Zhang, Xiuhui, Li, Qian-shu, Xie, Yaoming, King, R. Bruce, Schaefer, Henry F., III, Binuclear Cyclopentadienylmetal Carbonyl Derivatives of the Oxophilic Metal Niobium, Organometallics, 28(22), pp 6410-6424, 2009/11/23.

[16]. Zhang, Xiuhui, Li, Qian-shu, Ge, Maofa, Xie, Yaoming, King, R. Bruce, Schaefer, Henry F., Binuclear Cyclopentadienylmolybdenum Carbonyl Derivatives: Where is the Missing Mo=Mo Double-Bonded Species Cp2Mo2(CO)5?, Organometallics, 28(9), pp 2818-2829, 2009/5/11.

[17]. Wu QunYan, Tang YuPeng, *Zhang XiuHui, Boron rings containing planar octacoordinate iron and cobalt, Science in China Series B-Chemistry, 52(3), pp 288-294, 2009/3.

[18]. Zhang, Xiuhui, Li, Se, Li, Qian-Shu, Characterizations of novel binuclear alkaline-earth metallocenes: M2(η5-E5)2 (M = Be, Mg and Ca; E = P and As), Molecular Physics, 107(8-12), pp 855-861, 2009.

[19]. Zhang, Xiuhui, Li, Qian-shu, Xie, Yaoming, King, R. Bruce, Schaefer, Henry F., III, Beyond the metal-metal triple bond in binuclear cyclopentadienylchromium carbonyl chemistry, Dalton Transactions, 35, pp 4805-4810, 2008.

[20]. Zhang, Xiuhui, Li, Qian-shu, Xie, Yaoming, King, R. Bruce,et al., Dimetallocene carbonyls: The limits of the 18-electron rule and metal-metal multiple bonding in highly unsaturated molecules of the early transition metals, Journal of Molecular Structure, 890(1-3), pp 184-191, 2008/11/12.

[21]. Zhang, Xiuhui, Li, Qian-shu, Xie, Yaoming, King, R. Bruce, Schaefer, Henry F., III, A carbonyl group bridging four metal atoms in a homoleptic carbonylmetal cluster: The remarkable case of Co4(CO)11, European Journal of Inorganic Chemistry, 13, pp 2158-2164, 2008/5.

[22]. Zhang, Xiuhui, Li, Qian-Shu, Xie, Yaoming, King, R. Bruce, Schaefer, Henry F., III, Unsaturated binuclear cyclopentadienylmanganese carbonyl derivatives related to cymantrene, Organometallics, 27(1), pp 61-66, 2008/1/14.

[23]. Li, Qian-Shu(导师), Zhang, Xiuhui, Xie, Yaoming, King, R. Bruce, Schaefer, Henry F., Interplay between two-electron and four-electron donor carbonyl groups in oxophilic metal systems: Highly unsaturated divanadocene carbonyls, Journal of the American Chemical Society, 129(11), pp 3433-3443, 2007/3/21.

[24]. Zhang, Xiuhui, Li, Qian-Shu, Xie, Yaoming, King, R. Bruce, Schaefer, Henry F., III, The binuclear cyclopentadienylvanadium carbonyls (η5-C5H5)2V2(CO)7 and (η5-C5H5)2V2(CO)6: Comparison with homoleptic chromium carbonyls, European Journal of Inorganic Chemistry, 11, pp 1599-1605, 2007/4.

[25]. Zhang, Xiuhui, Li, Qian-Shu, Ingels, JB, Simmonett, AC, et al.Remarkable electron accepting properties of the simplest benzenoid cyanocarbons: hexacyanobenzene, octacyanonaphthalene and decacyanoanthracene, Chemical Communications, 7, pp 758-760, 2006/2/2