德国 Fritz-Haber 研究所, 洪堡学者 学习及工作经历 : ( 从大学开始填, 内容包括时间 单位 学位 所学专业 从事专业 专业技术职务情况, 时间段要连续, 准确到月份 )

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1 姓名江凌性别男出生年月 1976 年 7 月 出生地河南信阳婚姻状况已婚政治面貌中共党员 国籍中国从事专业物理化学 现工作单位及职位 人事关系所在单位 德国 Fritz-Haber 研究所, 洪堡学者 南开大学 学习及工作经历 : ( 从大学开始填, 内容包括时间 单位 学位 所学专业 从事专业 专业技术职务情况, 时间段要连续, 准确到月份 ) I. Educational Experience: Date University Degree Specialty Kobe University, Japan Doctor Physical chemistry Nankai University Master Quantum chemistry Xinyang Normal University Bachelor General chemistry II. Professional Experience: Date Institution Profession Specialty present (Fellowship ends on ) Fritz-Haber-Institut der Max-Planck-Gesellschaft, Berlin, Germany Fritz-Haber-Institut der Max-Planck-Gesellschaft, Berlin, Germany National Institute of Advanced Industrial Science and Technology, Osaka, Japan National Institute of Advanced Industrial Science and Technology, Osaka, Japan National Institute of Advanced Industrial Science and Technology, Osaka, Japan Alexander von Humboldt Fellow Postdoctoral Research Scientist Japan Society for the Promotion of Science (JSPS) Fellow Technical Staff Research Assistant Physical chemistry Physical chemistry Physical chemistry Physical chemistry Physical chemistry 如内容较多, 本栏目填不下时, 可另纸接续 ( 下同 ) 1

2 主要学术成就 科技成果及创新点 : I. During the Master Course (in Nankai University): My work in this period was mostly on the quantum chemical study on energetic behavior of Water-Gas Shift (WGS) reaction (CO + H 2 O CO 2 + H 2 ) over model catalysts. The trends in calculated activation barriers imply that forward and reverse WGS reaction rates on copper catalyst surfaces might follow the order of Cu(110) > Cu(100) > Cu(111), which are in good agreement with experimental observations. The interesting feature is that the activation barriers for the combinative reactions over Cu(hkl) surfaces are in the order of Cu(110) < Cu(100) < Cu(111), just opposite to the dissociative reactions (see Publication List, 1 8). Innovation points: My research has revealed that the combined strategy of Density Functional Theory (DFT) calculations with Unity Bond Index-Quadratic Exponential Potential (UBI-QEP) approach can provide an efficient method to understand the energetic behavior of many surface reaction processes. II. During the Doctoral Course and JSPS Fellowship (in Kobe University / National Institute of Advanced Industrial Science and Technology, Osaka, Japan): Since entering the doctoral course, I have investigated the reactions of various metal atoms and small clusters with small inorganic molecules (i.e. CO, CO 2, O 2, N 2, NO, N 2 O, H 2 O, and NH 3, etc.) in Ar and Ne matrices using laser-ablation matrix-isolation infrared spectroscopy and DFT calculations. In particular, I have discovered for the first time the activation process to CO dissociation on Sc 2, Y 2, and Ln 2 (Ln = lanthanoid elements) clusters, which provide important information for understanding mechanisms of related catalytic reactions. The main achievements are summarized as follows. II.1 Successful Synthesis of a Series of Metal-Containing Complexes from the Reactions of Metal Atoms and Clusters with Small Inorganic Molecules (see Publication List, 9 52) We have succeeded in synthesizing and characterizing series of metal-containing species, M x L y (M = transition and main group metals, lanthanoid elements, L = CO, CO 2, O 2, N 2, NO, N 2 O, H 2 O, and NH 3, etc.; x = 1-5, y = 1-3), on the basis of the results of stepwise annealing, isotopic substitution, change of metal / L ratios, and the comparison with theoretical predictions. These metal carbonyls play an important role in many industrial processes employing these inorganic molecules as a reagent and transition metal compounds as heterogeneous catalysts. II.2 Observation of Anomalous C-O Bond Weakening and Activation Process to CO Dissociation (see Publication List, 12, 19, 22) Sc 2 [η 2 (μ 2 -C, O)], the first homoleptic dinuclear metal carbonyl with an unprecedented side-on-bonded CO, generated from the reaction of laser-ablated Sc atoms with CO in a solid argon matrix, exhibits an unusually low C-O stretching frequency at cm -1, characteristic of an anomalously weakened C-O bond. This CO-activated molecule undergoes ultraviolet-visible photoinduced rearrangement to the CO-dissociated molecule, c-sc 2 (μ-c)(μ-o). Our experimental and theoretical results schematically depict an activation process to CO dissociation. This finding is a key for explaining the unusually low ν C-O values ( cm -1 ) of the chemisorbed CO molecules on transition metal surfaces and for understanding the activation process to CO dissociation on metal catalysts. 2

3 II.3 Unprecedented Evidence for the Formation of Zinc Tricarbonyl (see Publication List, 18, 24) Reactions of laser-ablated zinc atoms with CO molecules in solid argon and neon have been investigated using matrix-isolation infrared spectroscopy. Infrared spectroscopy coupled with theoretical calculations provide the first evidence for the formation of the zinc tricarbonyl Zn(CO) 3. This is the next member of the family of 18-electron metal carbonyls Cr(CO) 6 Fe(CO) 5 Ni(CO) 4, of which the formation has been anticipated for a long time and many challenges of preparation have been made by researchers. Theoretical calculations reveal that the formation of Zn(CO) 3 involves 4s 4p promotion of the Zn atom, which increases the Zn-CO bonding by decreasing the σ repulsion and significantly increasing the Zn 4sp hybrid orbitals CO π * back-donation. II.4 Unique Structural Trends in the Lanthanoid Oxocarbonyl Complexes (see Publication List, 41) The early lanthanoid (La Sm) oxocarbonyl complexes adopt the trans configurations, the europium and ytterbium ones adopt side-on-bonded modes (Eu-(η 2 -OC)O and Yb-(η 2 -OC)O), and the late lanthanoid (Gd Lu) ones adopt the cis configurations, exhibiting the difference in chemistry among the lanthanoid elements. Natural bond orbital analysis indicates that the formation of the lanthanoid oxocarbonyl complexes involves the promotion of 6s and 4f electrons into the metal valence shell. II.5 A Efficient Model System for Catalytic CO Oxidation (see Publication List, 21, 48, 50) Laser-ablated transition metal atoms react with CO/O 2 and CO/N 2 mixtures in the matrix to produce carbonylmetal oxide and dinitrogen complexes. Especially, carbon dioxide is eliminated from these carbonylmetal oxides upon UV irradiation, providing the evidence for the oxidation of carbon monoxide on group 11 metal atoms. The present experiments reveal that the reactivity of copper toward CO is prior to O 2, and the reactivity of silver toward O 2 is prior to CO, whereas the reactivity of gold toward CO is comparable to O 2. The present finding provides valuable information for understanding the reaction mechanism of catalytic CO oxidation on group 11 metal catalysts. Innovation points: A matrix-isolation infrared spectroscopy system with high sensitivity has been developed, which allows for the detection of the infrared spectra of small metal cluster species containing IR sensitive groups such as CO. Especially, I have firstly discovered the anomalous C-O bond weakening and activation process to CO dissociation on group 3 metal dimers, providing valuable information for understanding reaction mechanisms of related catalytic processes. III. During the Alexander von Humboldt Fellowship (in Fritz-Haber-Institut der Max-Planck-Gesellschaft, Berlin, Germany): Microhydration of metal cations and the correlation between gas-phase cluster model and real metal oxide catalysts have been studied by using Infrared photodissociation (IRPD) spectroscopy and quantum chemical calculation. The main achievements are summarized as follows. III.1 Gas-Phase Vibrational Spectroscopy of Microhydrated Magnesium Nitrate Ions [MgNO 3 (H 2 O) 1-4 ] + (see Publication List, 53) Infrared multiple photon dissociation (IRMPD) spectra of buffer gas cooled 3

4 [MgNO 3 (H 2 O) n ] + complexes with n = 1-4 are measured in the O-H stretching region. The observed bands are assigned to the excitation of the symmetric and antisymmetric stretching modes of the water molecules. The structural assignment of the spectra is aided by density functional theory calculations (B3LYP/6-311+G(d,p)) on energetically low-lying isomers, including the calculation of harmonic and anharmonic vibrational frequencies, as well as dissociation energies. The nitrate anion binds to the Mg dication in a bidentate fashion, occupying two coordination sites. The water molecules fill the remaining binding sites of the Mg cation, completing the first coordination shell at n = 4 and forming a stable 6-fold coordinated complex, whose structure persists up to room temperature. III.2 Exploring the Support Active Site Interaction of Vanadium Oxide Catalyst via Tailored Binary Metal Oxide Cluster Model (see Publication List, 56) The vibrational spectroscopy of the rare-gas tagged [(CeO 2 )(VO 2 ) 1 2 ] + and [(Ce 2 O 3 )(VO 2 )] + clusters with tailored electronic structures is studied in the cm 1 region by infrared vibrational predissociation (IRVPD) spectroscopy, benchmarking quantum chemical calculations on the difficult-to-handle cerium-containing complexes. Systematical compuatations on the prototypical VO 2 /MO 2 (M = Ce, Ti, Si) systems reveal that relative to vanadium oxide, the reducibility of the support material is in the order of CeO 2 > TiO 2 > SiO 2, following the same trend as the coresponding reactivity. High reducibility of cerium atom implies an active role of cerium oxide in the supported vanadium oxide catalysts. III.3 IR Spectroscopic Characterization of the Thermally Induced Isomerization in Carbon Disulfide Dimer (see Publication List, 54) Vibrational spectra of thermalized carbon disulfide dimer anions, (CS 2 ) 2, have been measured at temperatures from 16 to 300 K. Previous experiments showed evidence for several (CS 2 ) 2 isomers, whose relative abundance depends on the source conditions. We used infrared photodissociation spectroscopy in the fingerprint region ( cm -1 ) of (CS 2 ) 2 thermalized in a temperature-controllable ion trap, in combination with simulated IR spectra derived from ab initio calculations, to identify the isomers present at various ion trap temperatures. The IRPD spectra show characteristic signatures for at least three different isomers. Anions formed in the source are primarily trapped as high energy ion-molecule complexes, in which the unpaired electron is localized on a single CS 2 moiety. Thermal heating supplies sufficient energy to overcome the isomerization barriers and shifts the isomer population via a weakly-bound isomer, in which the electron is delocalized over the complete complex, to lower energy covalently bound structures. Innovation points: (i) Optical multipass cell has been developed, which allows increasing the photon fluence such that infrared multiple photon dissociation spectra can be measured by using the tabletop infrared laser source. (ii) Infrared vibrational predissociation (IRVPD) spectroscopy combined with accurate theoretical calculation allows the support active site interaction in catalytic system to be explored by tailored binary metal oxide cluster model, thereby opening up fascinating research opportunity for rational catalyst design. (iii) Temperature-dependent infrared photodissociation spectroscopy has been developed, making it feasible for the investigation of thermal stability (i.e., thermally induced isomerization) of ionic species. 4

5 主要论著目录 : (1. 论文作者 题目 期刊名称 年份 卷期 页 ;2. 著作 : 著者 书名 出版社 年份 ) Publication List Journal publication via peer review (* indicates the corresponding authorship) in Fritz-Haber-Institut, Berlin, Germany 56. Exploring the Support Active Site Interaction of Vanadium Oxide Catalyst via Tailored Binary Metal Oxide Cluster Model Ling Jiang, Torsten Wende, Pieterjan Claes, Soumen Bhattacharyy, Peter Lievens, Gerard Meijer, Knut R. Asmis,* Marek Sierka, and Joachim Sauer* to be submitted. 55. Infrared Spectroscopic Characterization of the Oxidative Dehydrogenation of Propane by V 4 O 10 + Torsten Wende, Jens Döbler, Ling Jiang, Pieterjan Claes, Ewald Janssens, Peter Lievens, Gerard Meijer, Knut R. Asmis*, and Joachim Sauer* Int. J. Mass. Spectrom. in press (doi: /j.ijms ). 54. IR Spectroscopic Characterization of the Thermally Induced Isomerization in Carbon Disulfide Dimer Anions Daniel J. Goebbert, Torsten Wende, Ling Jiang, Gerard Meijer, Andrei Sanov*, and Knut R. Asmis* J. Phys. Chem. Lett. 2010, 1, Gas-Phase Vibrational Spectroscopy of Microhydrated Magnesium Nitrate Ions [MgNO 3 (H 2 O) 1-4 ] + Ling Jiang, Torsten Wende, Risshu Bergmann, Gerard Meijer, and Knut R. Asmis* J. Am. Chem. Soc. 2010, 132, in Kobe University / National Institute of Advanced Industrial Science and Technology, Osaka, Japan 52. Reactions of Laser-Ablated Nb and Ta Atoms with N 2 : Experimental and Theoretical Study of M(NN) x (M = Nb, Ta; x = 1-4) in Solid Neon Zhang-Hui Lu, Ling Jiang, and Qiang Xu* J. Phys. Chem. A 2010, 114, Reactions of Molybdenum and Tungsten Atoms with Nitrous Oxide in Excess Argon: A Combined Matrix Infrared Spectroscopic and Theoretical Study J. Chem. Phys. 2010, 132, Reactions of Ruthenium and Rhodium atoms with Carbon Monoxide and Dinitrogen Mixtures: A Combined Experimental and Theoretical Study Ling Jiang, Zhang-Hui Lu, and Qiang Xu* J. Chem. Phys. 2010, 132, A Combined Experimental and Theoretical Study of Iron Dinitrogen Complexes: Fe(N 2 ), Fe(NN) x (x = 1 5), and Fe(NN) 3 Zhang-Hui Lu, Ling Jiang, and Qiang Xu* J. Phys. Chem. A 2010, 114,

6 48. Infrared Spectra and Density Functional Theory Calculations of the Tantalum and Niobium Carbonyl Dinitrogen Complexes Zhang-Hui Lu, Ling Jiang, and Qiang Xu* J. Chem. Phys. 2009, 131, Reactions of Rhodium and Ruthenium Atoms with Nitrous Oxide: A Combined Matrix Infrared Spectroscopic and Theoretical Study J. Phys. Chem. A 2009, 113, Matrix Infrared Spectroscopic and Theoretical Studies on the Reactions of Late Lanthanoid Atoms with Nitrous Oxide in Excess Argon J. Phys. Chem. A 2009, 113, Reactions of Gold Atoms with Nitrous Oxide in Excess Argon: A Matrix Infrared Spectroscopic and Theoretical Study Ling Jiang, Masanori Kohyama, Masatake Haruta, and Qiang Xu* J. Phys. Chem. A 2008, 112, Density Functional Theory Study of the Interaction of Carbon Monoxide with the Second-Row Transition Metal Dimers Chem. Phys. 2008, 354, Matrix Infrared Spectroscopic and Theoretical Studies on the Reactions of Early Lanthanoid Atoms with Nitrous Oxide in Excess Argon J. Phys. Chem. A 2008, 112, Infrared Spectroscopic and Density Functional Theory Studies on the Reactions of Yttrium and Lanthanum Atoms with Nitrous Oxide in Excess Argon J. Phys. Chem. A 2008, 112, Unique Structural Trends in the Lanthanoid Oxocarbonyl Complexes Ling Jiang, Xin-Bo Zhang, Song Han, and Qiang Xu* Inorg. Chem. 2008, 47, CO Activation on the Late Lanthanide Dimers: Matrix Infrared Spectra of the Ln 2 [η 2 (μ 2 -C, O)] x (Ln = Tb, Dy, Ho, Er, Lu; x = 1, 2) Molecules Ling Jiang, Xi Jin, Mingfei Zhou,* and Qiang Xu* J. Phys. Chem. A 2008, 112, Theoretical Study of the Interaction of Carbon Monoxide with 3d Metal Dimers J. Chem. Phys. 2008, 128, Matrix-Isolation Infrared Spectroscopic and Density Functional Theory Studies on Reactions of Laser-Ablated Lead and Tin Atoms with Water Molecules Yun-Lei Teng, Ling Jiang, Song Han, and Qiang Xu* Bull. Chem. Soc. Jpn. 2007, 80, Infrared Spectroscopic and Density Functional Theory Study on the Reactions of 6

7 Rhodium and Cobalt Atoms with Carbon Dioxide in Rare-Gas Matrixes Ling Jiang, Yun-Lei Teng, and Qiang Xu* J. Phys. Chem. A 2007, 111, Matrix-Isolation Infrared Spectroscopic and Theoretical Studies on Reactions of Laser-Ablated Germanium Atoms with Water Molecules Yun-Lei Teng, Ling Jiang, Song Han, and Qiang Xu* J. Phys. Chem. A 2007, 111, Infrared Spectroscopic and Density Functional Theory Study on the Reactions of Lanthanum Atoms with Carbon Dioxide in Rare-Gas Matrices J. Phys. Chem. A 2007, 111, Reactions of Laser-Ablated La and Y Atoms with CO: Matrix Infrared Spectra and DFT Calculations of the M(CO) x and MCO + (M = La, Y; x = 1 4) Molecules J. Phys. Chem. A 2007, 111, Carbonyldinitrosyltris(fluorosulfato)tungstate(II) and -Molybdate(II) Anions: Synthesis, Spectroscopy, and Density Functional Theory Calculations Qiang Xu,* Nobuko Tsumori, Ling Jiang, Masanobu Kondo, and Ryuichi Arakawa Chem. Asian J. 2007, 2, Infrared Spectroscopic and Theoretical Studies on the Reactions of Copper Atoms with Carbon Monoxide and Nitric Oxide Molecules in Rare-Gas Matrices J. Phys. Chem. A 2007, 111, Existence of the Na H δ H δ+ O Dihydrogen Bond in the Hydrogenation Process by Na 2 O: A First-Principles Identification Xin-Bo Zhang, Si-Qi Shi, Ling Jiang, Song Han, Yukinari Kotani, Tetsu Kiyobayashi, Nobuhiro Kuriyama, Tetsuhiko Kobayashi, and Qiang Xu* J. Phys. Chem. C 2007, 111, Reactions of Gadolinium Atoms and Dimers with CO: Formation of Gadolinium Carbonyls and Photoconversion to CO Activated Molecules Xi Jin, Ling Jiang, Qiang Xu,* and Mingfei Zhou* J. Phys. Chem. A 2006, 110, Infrared Spectra of the (AgCO) 2 and Ag n CO (n = 2 4) Molecules in Rare-Gas Matrices J. Phys. Chem. A 2006, 110, Infrared Spectra of the M(NO) n (M = Sn, Pb; n = 1, 2) and PbNO Molecules Qiang Xu* and Ling Jiang Inorg. Chem. 2006, 45, Tuning the Formation of Cadmium(II) Urocanate Frameworks by Control of Reaction Conditions: Crystal Structure, Properties, and Theoretical Investigation Ru-Qiang Zou, Rui-Qin Zhong, Ling Jiang, Yusuke Yamada, Nobuhiro Kuriyama, and Qiang Xu* Chem. Asian J. 2006, 1,

8 26. Infrared Spectroscopic and Density Functional Theory Studies on the Reactions of Zinc and Cadmium Atoms with Ammonia Bull. Chem. Soc. Jpn. 2006, 79, Reactions of the Small Tin Clusters with Carbon Monoxide: Infrared Spectra and DFT Calculations of the Sn n CO (n = 2 5) and Sn 2 (CO) 2 Molecules in Solid Argon Bull. Chem. Soc. Jpn. 2006, 79, Reactions of Laser-Ablated Zinc and Cadmium Atoms with CO: Infrared Spectra of the Zn(CO) x (x = 1 3), CdCO, and Cd(CO) 2 Molecules in Solid Neon Ling Jiang, Yun-Lei Teng, and Qiang Xu* J. Phys. Chem. A 2006, 110, Infrared Spectroscopic and Density Functional Theory Studies on the CO Dissociation by Scandium and Yttrium Dimers J. Phys. Chem. A 2006, 110, Infrared-Spectroscopic and Density-Functional-Theory Investigations of the LaCO, La 2 [η 2 (μ 2 -C,O)], and c-la 2 (μ-c)(μ-o) Molecules in Solid Argon Qiang Xu,* Ling Jiang, and Ru-Qiang Zou Chem. Eur. J. 2006, 12, Oxidation of Carbon Monoxide on Group 11 Metal Atoms: Matrix-Isolation Infrared Spectroscopic and Density Functional Theory Study Qiang Xu* and Ling Jiang J. Phys. Chem. A 2006, 110, Infrared Spectroscopic and Density Functional Theory Studies on the Reactions of Cadmium Atoms with Carbon Monoxide in Solid Argon J. Phys. Chem. A 2005, 109, cyclo-ti 3 [η 2 (μ 2 -C,O)] 3 : A Side-on-Bonded Polycarbonyl Titanium Cluster with Potentially Antiaromatic Character Qiang Xu,* Ling Jiang, and Nobuko Tsumori Angew. Chem., Int. Ed. 2005, 44, Experimental and Theoretical Evidence for the Formation of Zinc Tricarbonyl in Solid Argon J. Am. Chem. Soc. 2005, 127, [Additions and Corrections: J. Am. Chem. Soc. 2006, 128, ] 17. Aerodynamic Levitation Apparatus for Structure Study of High Temperature Materials Coupled with Debye-Scherrer Camera at BL19B2 of SPring-8 Ichiro Sakai,* Kensuke Murai, Ling Jiang, Norimasa Umesaki, Tetsuo Honma, and Akiko Kitano Proceeding of The Fourteenth International Conference on Vacuum Ultraviolet Radiation Physics (VUV-XIV), July 19-23, 2004, in Cairns (Australia). J. Electron Spectrosc. Relat. Phenom. 2005, ,

9 16. Rational Assembly of a 3D Metal Organic Framework for Gas Adsorption with Predesigned Cubic Building Blocks and 1D Open Channels Ru-Qiang Zou, Ling Jiang, Hiroshi Senoh, Nobuhiko Takeichi, and Qiang Xu* Chem. Commun. 2005, Reactions of Germanium Atoms and Small Clusters with CO: Experimental and Theoretical Characterization of Ge n CO (n = 1 5) and Ge 2 (CO) 2 in Solid Argon Mingfei Zhou,* Ling Jiang, and Qiang Xu* J. Phys. Chem. A 2005, 109, Reactions of Gold Atoms and Small Clusters with CO: Infrared Spectroscopic and Theoretical Characterization of Au n CO (n = 1 5) and Au n (CO) 2 (n = 1, 2) in Solid Argon J. Phys. Chem. A 2005, 109, Observation of the Lead Carbonyls, Pb n CO (n = 1 4): Reactions of Lead Atoms and Small Clusters with Carbon Monoxide in Solid Argon J. Chem. Phys. 2005, 122, Observation of Anomalous C O Bond Weakening on Discandium and Activation Process to CO Dissociation J. Am. Chem. Soc. 2005, 127, Reactions of Silicon Atoms and Small Clusters with CO: Experimental and Theoretical Characterization of Si n CO (n = 1 5), Si 2 (CO) 2, c-si 2 (μ-o)(μ-csi), and c-si 2 (μ-o)(μ-cco) in Solid Argon Mingfei Zhou,* Ling Jiang, and Qiang Xu* J. Chem. Phys. 2004, 121, Reactions of Silicon Atoms with NO. Experimental and Theoretical Characterization of Molecules Containing Si, N, and O Mingfei Zhou,* Ling Jiang, and Qiang Xu* J. Phys. Chem. A 2004, 108, C C Double- and Triple-Bond Formation from Reactions of B Atoms with CO: Experimental and Theoretical Characterization of OBBCCO and OBCCBO Molecules in Solid Argon Mingfei Zhou,* Ling Jiang, and Qiang Xu* Chem. Eur. J. 2004, 10, in Nankai University, Tianjin 8. Cluster and Periodic DFT Calculations: The Adsorption of Atomic Nitrogen on M(111) (M = Cu, Ag, Au) Surfaces Gui-Chang Wang,* Ling Jiang, Xian-Yong Pang, and Junji Nakamura In Progress in Surface Science Research, Edited by Nadya Columbus, Nova Science Publishers, Inc., J. Phys. Chem. B 2005, 109, Promotion of the Water Gas Shift Reaction by Pre-adsorbed Oxygen on Cu(hkl) 9

10 Surfaces: A Theoretical Study Ling Jiang, Gui-Chang Wang,* Zun-Sheng Cai, Yin-Ming Pan, and Xue-Zhuang Zhao J. Mol. Struc. (THEOCHEM) 2004, 710, Cluster and Periodic DFT Calculations of Adsorption and Activation of CO 2 on the Cu(hkl) Surfaces Gui-Chang Wang,* Ling Jiang, Yoshitada Morikawa, Junji Nakamura, Zun-Sheng Cai, Yin-Ming Pan, and Xue-Zhuang Zhao Surf. Sci. 2004, 570, A Theoretical Study of Surface-Structural Sensitivity of the Reverse Water-Gas Shift Reaction over Cu(hkl) Surfaces Gui-Chang Wang*, Ling Jiang, Xian-Yong Pang, Zun-Sheng Cai, Yin-Ming Pan, Xue-Zhuang Zhao, Yoshitada Morikawa, and Junji Nakamura Surf. Sci. 2003, 543, Investigation of the Kinetic Properties for the Forward and Reverse WGS Reaction by Energetic Analysis Guichang Wang,* Ling Jiang, Yuhua Zhou, Zunsheng Cai, Yinming Pan, Xuezhuang Zhao, Yongwang Li, Yuhan Sun, Bing Zhong, Xianyong Pang, Wei Huang, and Kechang Xie J. Mol. Struc. (THEOCHEM) 2003, 634, The First Observation of Nitrogen Carbonyl Bonding: Self-Assembly of N-oxalyl 2,4-dinitroanilide Assisted by a Weak N O=C Interaction Zhenming Yin, Ling Jiang, Jiaqi He, and Jin-Pei Cheng* Chem. Commun. 2003, 18, Surface Structure Sensitivity of the Water Gas Shift Reaction on Cu(hkl) Surfaces: A Theoretical Study Guichang Wang,* Ling Jiang, Zunsheng Cai, Yinming Pan, Xuezhuang Zhao, Wei Huang, Kechang Xie, Yongwang Li, Yuhan Sun, and Bing Zhong J. Phys. Chem. B 2003, 107, Interaction of the Atoms (H, S, O, C) with the Cu(111) Surface Guichang Wang,* Ling Jiang, Zunsheng Cai, Yinming Pan, Naijia Guan, Yang Wu, Xuezhuang Zhao,* Yongwang Li, Yuhan Sun, and Bing Zhong J. Mol. Struc. (THEOCHEM) 2002, , The following above-mentioned papers have been enclosed as copies: 53, 18, 12 10

11 主持 ( 参与 ) 科研项目及申请专利 : ( 项目来源 项目名称 经费 个人在其中的作用 ) 2009 present: Fund Source: Title of Project: Personal Role: Alexander von Humboldt Foundation, Germany Characterizing the structure-reactivity relationship in tailored metal oxide clusters I am smoothly conducting the project by serving as the only person with the collaboration of the supervisor : Fund Source: Title of Project: Personal Role: Japan Society for the Promotion of Science (JSPS), Japan Study on reactions of metals with small molecules: from single metal atoms toward clusters I have successfully finished the project by serving as the only person with the collaboration of the supervisor : Fund Source: Title of Project: Personal Role: : Fund Source: Title of Project: Personal Role: The Ministry of Education, Culture, Sports, Science and Technology (MEXT), Japan Matrix-isolation infrared spectroscopic and theoretical study on the reactions of metals with small molecules I have successfully finished the project by serving as the main person with the collaboration of the supervisor. Marubun Research Promotion Foundation, Japan Study on the activation and dissociation of CO by metal clusters I have successfully finished the project by serving as the only person with the collaboration of the supervisor. 11

12 获科技奖情况 : ( 项目名称 奖项 获奖时间 本人在其中的作用及排名 获奖总人数 ) Title of Project: Awarded By: Study on the activation and dissociation of CO by metal clusters Marubun Research Promotion Foundation, Japan (Japanese yen 1,500,000) Award Date March 7, 2005 Personal Role: I was the only person for this award and served as the only person with the collaboration of the supervisor. 获各类荣誉奖情况 : 2009 present Alexander von Humboldt Fellowship Japan Society for the Promotion of Science (JSPS) Fellowship Japanese Government Scholarship from the Ministry of Education, Culture, Sports, Science and Technology (MEXT), Japan A Grant for Communication Research, Marubun Research Promotion Foundation, Japan Honors Scholarship, Japan Student Services Organization, Japan The Excellent Master Thesis, Nankai University, P. R. China Nankai University Scholarship, Nankai University, P. R. China First-Class University Scholarship, Xinyang Normal University, P. R. China 12