郝策，教授，博士生导师，1996年南开大学博士毕业。物理化学国家新世纪网络课程负责人，物理化学国家双语示范课程负责人，物理化学国家来华留学英语授课品牌课负责人。获国家教学成果二等奖一项，辽宁省教学成果一等奖一项，山东省教委科技进步三等奖一项。已发表SCI论文100余篇，他引300余次。
联系方式：
Email： haoce@
电话：0411-84986335
美国化学会会员
J. Chem 编辑
J. Phys. Chem 审稿人
J. Comput. Chem 审稿人
Carbon 审稿人
Chem. Phys. Lett.审稿人
Journal of Physical Organic Chemistry 审稿人
Journal of Nanoscience and Nanotechnology 审稿人
1. 金属-有机骨架材料的理论研究；发光MOFs材料的化学传感
2. 染料敏化太阳能电池、钙钛矿电池的理论与实验研究
3. 光合作用和固氮过程的化学本质
4. 环境光化学 抗生素水环境光化学转化
5. 功能性纳米炭素材料的结构与性能研究
承担的国家级基金项目：
1. 国家自然科学基金面上项目：“富勒烯金属包合物的动态结构及性质的理论研究”（批准号：20773018）
2. 国家自然科学基金重点项目：“抗生素水环境光化学转化/光致毒性机理与计算模拟” （批准号：21137001）
3. 国家自然科学基金重点项目：“分子筛及其膜材料的吸附、扩散与分离性能研究” （批准号：21036006）
4. 国家自然科学基金面上项目：“发光MOFs中氢键在激发态下的行为“（批准号：21373042）
1. 石墨烯太阳能电池理论与实验研究
2. 水环境化学复合污染过程与机制研究
3. 金属-有机骨架材料的理论与实验研究
学术论文（近三年, 全部SCI收录）：
1.Se Wang, Ce Hao*, Zhanxian Gao, Jingwen Chen, Jieshan Qiu，“Theoretical investigations on direct photolysis mechanisms of polychlorinated diphenyl ethers” Chemosphere 2014, 111, 7-12
2.Se Wang, Ce Hao*, Zhanxian Gao, Jingwen Chen, Jieshan Qiu，” Theoretical investigation on photodechlorination mechanism of polychlorinated biphenyls” Chemosphere 2014, 95,200-205
3.Qian Li, Xiao Wang, Ying Xin, Zhaoliang Zhang*, Yexin Zhang, Ce Hao*, Ming Meng, Lirong Zheng, Lei Zheng,” A unified intermediate and mechanism for soot combustion on potassiumsupported oxides” SCIENTIFIC REPORTS 2014, 4, 4725
4.Min Ji, Suzhen Ren, Ce Hao, Huili Jin, Jieshan Qiu,” Theoretical study of the interaction between X (H, F) and graphene” Molecular Simulation 2014 , 40, No. 4, 306–312
5.Suzhen Ren ,Meng Wang, Meiling Xu,Ying Yang,Cuiying Jia, Ce Hao,” Fabrication of high-performance supercapacitors based on hollow SnO2 microspheres” J Solid State Electrochem 2014,18,909–916
6.Suzhen Ren, Ying Yang, Meiling Xu, Hongmin Cai, Ce Hao, Xuzhen Wang,” Hollow SnO2 microspheres and their carbon-coated composites for supercapacitors” Colloids and Surfaces A: Physicochemical and Engineering Aspects 2014, 444, 26–32
7.Se Wang, Xuedan Song, Ce Hao*, Zhanxian Gao, Jingwen Chen, Jieshan Qiu,” Elucidating photodehalogenation mechanisms of polychlorinated and polybrominated dibenzo-p-dioxins and dibenzofurans and Mg2+ effects by quantum chemical calculations” Comput. Theoret. Chem. 2014, Available online 29 March 2014
8.Min Ji, Ce Hao*, Dandan Wang, Hongjiang Li and Jieshan Qiu，“Time-dependent density functional theory study on effect of electronic excited-state hydrogen bonding of the luminescent MOFs” Dalton Trans. 2013，42 (10), 3464
9.Xiao Sui, Min Ji, Xin Lan, Weihong Mi, Ce Hao* and Jieshan Qiu*，“The role of the electronically excited-state hydrogen bonding and water clusters in the luminescent metal-organic framework” Inorg. Chem. 2013，2013, 52, 5742?5748
10.Yanfang Meng, Chunqing Zhang, Min Ji, Ce Hao*, Jieshan Qiu，“Hydrogen bonding and coordination bonding in the electronically excited states of Cu2(L)2 (L = 5-(4-pyridyl)tetrazole)MeOH: A TDDFT study” Spectrochim A: 2013，109，14-22（May）
11.Lei Liu, Weihong Mi, Ce Hao*, Jieshan Qiu, “Theoretical studies on how excited state hydrogen and coordination bonds affect luminescent properties of Metal Organic Framework Cu4(L)4?2EtOH”, Inorg. Chem. Commun. 2013, 31，69–73（May）
12.Dongxu Tian, Suzhen Ren, Ce Hao*, “Dynamic motion of La atom inside the C74 (D3h) cage: a relativistic DFT study” J. Mol. Model. 2013, 19，1591–1596
13.Xiao Sui, Weihong Mi, Min Ji, Ce Hao*, Jieshan Qiu,” Hydrogen bonding and coordination bonding in the electronically excited states of the MOF Cu2 (L)2 (L=5-(4-pyridyl)tetrazole) CH2Cl2: A time-dependent density functional theory study”, J Lumin. 2013, 142, 110-115 online 13 March 2013
14.Dongxu Tian*, Wei Zheng, Suzheng Ren, Ce Hao*,” A relativistic DFT study on the structure and property of M(M = Ba, Sr) @ C74 (D3h)”, Comput. Theoret. Chem. 2013, 1020, 57-62
15.Se Wang, Ce Hao* , Zhanxian Gao, Jingwen Chen, Jieshan Qiu, “Calixarene building block bis(2-hydroxyphenyl)methane (2HDPM) and hydrogen-bonded 2HDPM-H(2)O complex in electronic excited state”, J. Mol. Model. 2013, 19，1913-1918
16.Wei Zheng, Suzhen Ren, Dongxu Tian, Ce Hao*,” The dynamic motion of a M (M = Ca, Yb) atom inside the C74 (D3h) cage: a relativistic DFT study” J. Mol. Model. 2013, 19, 4521–4527
17.Min Ji, Zhenping Han, Weihong Mi, Ce Hao*, and Jieshan Qiu, “The Electronically Excited-State of the MFU-4[Zn5Cl4(BBTA)3] Metal-Organic Frameworks:Time-Dependent Density Functional Theory Study”, J. Comput. Theor. Nanosci. 2013，10（6）, 1477-1482
18.Xin Lan, Weihong Mi, Mi Ji, Ce Hao*, Jieshan Qiu, “The Hydrogen Bonding in Electronically Excited States of the Luminescent Metal-Organic Frameworks Containing H2O: Time-Dependent Density Functional Theory Study” J. Comput. Theor. Nanosci. 2013，10（9）, 2088-2093
19.Ning-Ning Wei，Adel Hamza，Ce Hao*，Zhilong Xiu，" Time-Dependent Density Functional Theory Study on Hydrogen and Dihydrogen Bonding in Electronically Excited State of 2-Pyridone-Borane-Trimethylamine Cluster” J Clust Sci 2013, 24, 459–470
20.Shuping Liu, Peng Jin, Donghui Zhang, Ce Hao, Xueming Yang, “Reaction mechanism for methanol oxidation on Au(1 1 1): A density functional theory study”, Appl Surf Sci 2013, 265, 443-451, 15 January
21.Zhao Dan; Chu Tian-Shu; Hao Ce, “The stereodynamic properties of the F+HO (v, j) -> HF+O reaction on (1)A ' and (3)A ' potential energy surfaces by quasi-classical trajectory calculations: Initial excitation effect (v=1-3, j=0 and v=0, j=1-3)” Chinese Phys. B 2013, 22 063401
22.Jie Liu, Xinyong Li, Qidong Zhao, Ce Hao, Dongke Zhang，“Insights into the Mechanism of Selective Catalytic Reduction of NOx by Propene over Cu/Ti0.7Zr0.3O2 Catalyst by FTIR Spectroscopy and DFT Calculations.” Envir. Sci. Tech. (impact factor: 4.8). 03/2013; DOI:10.1021/es3049898
23.Ning-Ning Wei，Adel Hamza，Ce Hao，Zhilong Xiu，Chang-Guo Zhan，“Microscopic modes and free energies for topoisomerase I-DNA covalent complex binding with non-camptothecin inhibitors by molecular docking and dynamics simulations” THEOR.CHEM. ACC. 2013, 132,1379
24.Qun-xing Luo, Min Ji,* Mei-heng Lu, Ce Hao, Jie-shan Qiu and Yan-qin Li, ” Organic electron-rich N-heterocyclic compound as a chemical bridge: building a Br?nsted acidic ionic liquid confined in MIL-101 nanocages” J. Mater. Chem. A 2013,1, 6530-6534
25.Ning-Ning Wei, Adel Hamza , Ce Hao , Trudy Johnson-Scalise , Zhilong Xiu , Frederick Naftolin & Chang-Guo Zhan, “Protein flexibility and conformational states of Leishmania antigen eIF-4A: identification of a novel plausibleprotein adjuvant using comparative genomics and molecular modeling”, J Bio. Struc. Dyn. 2013,31, 841-853
26.Suzhen Ren; Meng Wang; Cuiying Jia; Ce Hao; Xuzhen Wang, “Fabrication of Supercapacitors using Carbon Microspheres Synthesized from Resorcinol-Formaldehyde Resin” ,Energy Technology 2013, 1, 5-6
27.Min Ji, Xin Lan, Zhenping Han, Ce Hao*, Jieshan Qiu “Luminescent Properties of Metal-Organic Framework MOF-5: Relativistic Time-Dependent Density Functional Theory Investigations” Inorg. Chem. 2012，51, 12389?12394
28.Se Wang, Ce Hao*, Zhanxian Gao, Jingwen Chen and Jieshan Qiu, “Effects of excited-state structures and properties on photochemical degradation of polybrominated diphenyl ethers: A TDDFT study”Chemosphere 2012, 88，33–38
29.Danyang Wu, Weihong Mi, Min Ji, Ce Hao, Jieshan Qiu，“The effect of furcated hydrogen bond and coordination bond on luminescent behavior of metal-organic framework [CuCN?EIN]: A TDDFT study” Spectrochim A: 2012，97, 589-593 November 2012,
30.Dandan Wang，Ce Hao*，Se Wang，Hong Dong，Jieshan Qiu，“Time-dependent density functional theory study on the electronic excited-state hydrogen bonding of the chromophore coumarin 153 in a room-temperature ionic liquid” J. Mol. Model. 2012, 18, 937-945
31.Dandan Wang，Ce Hao*，Jieshan Qiu，“Theoretical forecast of the hydrogen bond changes in the electronic excited state for BN and its derivatives”，Central European Journal of Physics 2012，10, 116-123
32.Ce Hao*, Hongjiang Li，Guorong Jia, Shenmin L，Jieshan Qiu*，“Electron transfer makes D3h (78:5) cage easy to form M2@C78 (M=La, Ce): a relativistic density-functional theory study” Journal of Theoretical and Computational Chemistry 2012，11, 197-207
33.Min Ji, Ce Hao*, Zhenping Xie, Shuping Liu，Jieshan Qiu*，“Theoretical study of oxygen chemisorption on Pd (111), Au (111) and Pd?Au (111) alloy” J. Comput. Theor. Nanosci. 2012，9, 394-400
34.Ling Zhao, Xinyong Li, Ce Hao, Colin L. Raston, “SO2 adsorption and transformation on calcined NiAl hydrotalcite-like compounds surfaces: An in situ FTIR and DFT study” Applied Catalysis B: Environmental 2012, 117– 118, 339– 345
35.Shuping Liu, Peng Jin, Ce Hao, Donghui Zhang, Xueming Yang, Shuling Chen, “Reaction mechanism for CO oxidation on Cu(3 1 1): A density functional theory study” Applied Surface Science 2012, 258, 3980– 3985
36.Dan Zhao, TianShu Chu, Ce Hao, “Vector correlations in the F + HO → HF + O reactionand its isotopic variant” J. Mol. Model. 2012, 18(7):3283-9
37.Ce Hao*, Rui Wang, Mingxing Zhang, Huan Yang, Meihua Ge, Jingwen Chen, Jieshan Qiu，“Role of the intermolecular and intramolecular hydrogen bonding on the excited-state proton transfer behavior of 3-aminophthalimide (3AP) dimer”Journal of Photochemistry and Photobiology A: Chemistry 2011, 217, 219-223
38.Ning-Ning Wei，Ce Hao*，Jiao-Jie Tan，Guangyan Zhao，Ruizhou Li，Zhilong Xiu ，Jieshan Qiu，“Time-dependent density functional theory study of the excited-state dihydrogen bonding: clusters of 2-pyridone with diethylmethylsilane and triethylgermanium”J Mol Model 2011，17，1891–1897
39.Se Wang, Ce Hao*, Dandan Wang, Hong Dong, and Jieshan Qiu,“Time-Dependent Density Functional Theory Study on Electronic Excited States of the Hydrogen-Bonded Solute-Solvent Phenol-(H2O)n (n=3-5) Clusters”，Journal of Luminescence 2011，131, 2279-2285
40.Ce Hao*, Hongjiang Li, Lijuan Guo，Shenmin Li，Jieshan Qiu*，“The interaction between D3h-C74 and fluorine”Comput. Theoret. Chem. 2011, 963, 314-318
41.Hong Dong, Ce Hao*, Jingwen Chen, Jieshan Qiu，“Time-Dependent Density Functional Theory Study on the Hydrogen Bonding in Electronic Excited States of 6-Amino-3-((thiophen-2-yl) methylene)-Phthalide in Methanol Solution” Comput. Theoret. Chem. 2011, 972, 57-62
42.Yubo Huang, Tianyao Fan，Ce Hao* , Shenmin Li，Jieshan Qiu* , “The interaction between C36 (D6h) and X atom (X= H and F)” J. Comput. Theor. Nanosci. 2011, 8, 1–7
43.Jiao-jie Tan, Ce Hao?, Ning-Ning Wei, Ming-xing Zhang and Xi-yang Dai, “TIME-DEPENDENT DENSITY FUNCTIONAL THEORY STUDY ON THE ELECTRONIC EXCITED-STATE HYDROGEN BONDING DYNAMICS OF METHYL ACETATE IN AQUEOUS SOLUTION” Journal of Theoretical and Computational Chemistry 2011,10, 1–8
44.Se Wang, Ce Hao*, Dandan Wang, Hong Dong, and Jieshan Qiu,” Hydrogen Bonding Dynamics of Phenol(H2O)2 Cluster in the Electronic Excited State: a DFT/TDDFT Study” Journal of the Korean Chemical Society 2011, 55, 3
45.Ce Hao*, Lijuan Guo，Shenmin Li，Jieshan Qiu*，“The interaction between an oxygen atom and C70 (D5h) examined using density functional theory” J. Comput. Theor. Nanosci.2011，8, 1–5
著作：
1．郝策，米卫红，傅玉普，蒋山，任素珍，《新世纪网络课程 — 物理化学》，高等教育出版社，2002
2．傅玉普，郝策，曹殿学《多媒体物理化学（上，下）》，第一版，大连理工大学出版社，1998
3．傅玉普，郝策，曹殿学，《多媒体物理化学》，第二版，大连理工大学出版社，2000
4．傅玉普，郝策，蒋山，《多媒体物理化学》，第三版，大连理工大学出版社，2002，面向21世纪课程教材, 全国统编
5．傅玉普，郝策，蒋山，《物理化学简明教程》，大连理工大学出版社，2003，全国统编
6．傅玉普，郝策，蒋山，《多媒体物理化学》，第四版，大连理工大学出版社，2004，面向21世纪课程教材（十五规划、全国统编)
7. 傅玉普 郝策主编，纪敏 石川 蒋山等修订，《多媒体物理化学CAI》（第五版），大连理工大学出版社，2010-2，国家级面向21世纪教材，国家级精品课程教材
8．傅玉普，郝策，纪敏，管宪文，田福平，任素珍，蒋山，《硕士生入学考试物理化学重点热点导引与解题训练》，大连理工大学出版社，2001，与面向21世纪课程教材配套
9．傅玉普、林青松，，王新平，纪敏、郝策，任素珍，孙奉玉，蒋山，《物理化学学习指导》，大连理工大学出版社，2002，与面向21世纪课程教材配套
10． 傅玉普，纪敏，王新平，郝策，田福平，任素珍，蒋山，《物理化学考研重点热点导引与综合能力训练》，第二版，大连理工大学出版社，2004，与面向21世纪课程教材配套
11．傅玉普、林青松，，王新平，纪敏、郝策，任素珍，孙奉玉，蒋山，《物理化学学习指导》，第二版，大连理工大学出版社，2003，与面向21世纪课程教材配套
12．傅玉普、林青松，，王新平，纪敏、郝策，任素珍，蒋山，《物理化学学习指导》，第三版，大连理工大学出版社，2006，与面向21世纪课程教材配套
《应用现代教育技术全面实施工科化学系列课程教学改革》
高占先，刘志广，郝策，于永先，孟长功，国家教学成果二等奖，2002年
《应用现代教育技术全面实施工科化学系列课程教学改革》
2001年辽宁省教学成果一等奖，高占先，刘志广，郝策 等
在读博士生9人，硕士生 6人；已毕业博士生3人，硕士生 21人
大连理工大学计算化学课题组网址：http://computchem.
