»姓名：郭文跃

»系属：材料物理

»学位：博士

»职称：教授

»专业：理学

»导师类别：博导

»电子邮箱：wyguo@upc.edu.cn

»课题组网站：http://tsd.mse.upc.edu.cn/

»通讯地址：山东省青岛市黄岛区长江西路66号

»概况

 ◎研究方向

1、重质油结构分析

2、气相金属有机化学

3、石油油品加氢脱硫脱氮机理研究

4、燃料电池和太阳能电池反应机理和材料分子设计

 ◎教育经历

1995.09-1998.07中国科学院安徽光机所，获理学博士学位；

1992.09-1995.08中国科学院安徽光机所，获理学硕士学位；

1985.09-1989.07安徽师范大学物理系学习，获理学学士学位；

 ◎工作经历

2021.08-至  今  kaiyun体育登录网页入口（华东），教授/博导；

2018.10-2021.07 kaiyun体育登录网页入口（华东）kaiyun体育登录网页入口，经理；

2011.05-2018.10 kaiyun体育登录网页入口（华东）理学院，经理；

2009.05-2011.04 kaiyun体育登录网页入口（华东）物理科学与技术学院，经理；

2005.05-2009.04 kaiyun体育登录网页入口（华东）物理科学与技术学院，副经理；

2003.05-2005.04 kaiyun体育登录网页入口（华东）物理科学与技术学院材料物理系，系主任；

2000.08-2002.04 香港科技大学化学系，高级研究助理；

1998.07-2003.01 kaiyun体育登录网页入口（华东），副教授（2000），教授（2003）；

1989.07-1992.08 安徽省安庆市无线电二厂，助理工程师；

 ◎主讲课程

本科生《固体物理》

研究生《分子光谱》

 ◎学术兼职

山东省物理学会常务理事，青岛市物理学会副理事长，《J.Phys. Chem.》、《ACSCatal.》、《Phys.Chem. Chem. Phys.》等学术刊物的审稿人

 ◎指导研究生及博士后

累计指导博士生10余人，硕士生50余人，指导的多篇研究生学位论文获省级或校级优秀论文。

真诚欢迎具备物理、材料、计算机背景的同学们报考本课题组的硕士、博士研究生！

 ◎承担项目

1、在研

国家自然科学基金面上项目1项

2018.01-2021.12，反应吸附脱硫催化剂Ni/ZnO若干基本问题的理论研究（项目编号2177061480），主持。

2、已结题

国家自然科学基金面上项目（20476061、10979077）

教育部“新世纪优秀人才支持计划”（NCET-05-0608）

教育部“长江学者与创新团队发展计划”

山东省自然科学基金重点项目（ZR2011EMZ002）

中国石油科技创新基金（2009D-5006-04-07）

 ◎论文

[1] Dongyuan Liu, Houyu Zhu*, Saifei Yuan, Naiyou Shi, Jinggang Yu, Tuya Li, Qitang Ma, Wen Zhao, Hao Ren, Wenyue Guo*, Understanding the oxygen-vacancy-related catalytic cycle for H₂ oxidation on ceria-based SOFC anode and the promotion effect of lanthanide doping from theoretical perspectives. Applied Surface Science, 576, (2022) 151803.

[2] Tuya Li, Houyu Zhu*, Zehua Yu, Naiyou Shi, Qitang Ma, Jinggang Yu, Hao Ren, Yuan Pan, Yunqi Liu, Wenyue Guo*, Promotion effects of Ni-doping on H₂S removal and ZnO initial sulfuration over ZnO nanowire by first-principle study. Molecular Catalysis, 519 (2022) 112148.

[3] Saifei Yuan, Beixi Xu, Shujuan Li, Wenbiao Zhu, Shulai Lei, Wenyue Guo*, Hao Ren*, Highly efficient photocatalytic reduction of nitrogen into ammonia by single Ru atom catalyst supported by BeO monolayer. Chinese Chemical Letters, 2022,33: 399-403.

[4] Hao Ma, Wen Zhao*, Saifei Yuan, Hao Ren, Houyu Zhu, Huifang Ma, Feng Ding*, Wenyue Guo*, Reconstructed edges of T phase transition metal dichalcogenides. Materials Today Physics, 19 (2021) 100411.

[5] Saifei Yuan, Hao Ren*, Guodong Meng, Wen Zhao, Houyu Zhu, Wenyue Guo*, ZnO monolayer supported single atom catalysts for efficient nitrogen electroreduction to ammonia. Applied Surface Science, 555 (2021)149682.

[6] Houyu Zhu*, Xin Li, Naiyou Shi, Xuefei Ding, Zehua Yu, Wen Zhao, Hao Ren, Yuan Pan, Yunqi Liu, Wenyue Guo*, Density functional theory study of thiophene desulfurization and conversion of desulfurization products on the Ni (111) surface and Ni55 cluster: implication for the mechanism of reactive adsorption desulfurization over Ni/ZnO catalysts Catalysis. Catalysis Science & Technology, 2021, 11: 1615-1625.

[7] Xuefei Ding, Houyu Zhu*, Hao Ren, Dongyuan Liu, Zehua Yu, Naiyou Shi, Wenyue Guo*, Adsorption and dehydrogenation of C2–C6 n-alkanes over a Pt catalyst: a theoretical study on the size effects of alkane molecules and Pt substrates. Physical Chemistry Chemical Physics, 2020, 22: 21835-21843.

[8] Houyu Zhu*, Yongchun Hou, Hao Ren, Dongyuan Liu, Xin Li, Lianming Zhao, Yuhua Chi, Wenyue Guo*, Theoretical investigation on H₂ oxidation mechanisms over pristine and Sm-doped CeO₂(111) surfaces, Applied Surface Science. Applied Surface Science, 511 (2020) 145388.

[9] Houyu. Zhu, Yanchen Yu, Guixia Li, Xiaoqing Lu*, Dongyuan Liu, Xuefei Ding, Lianming Zhao, Yuhua Chi, Wenyue Guo*, Unraveling the active site and mechanism for C−S bond activation in alumina-supported Pt catalysts: Ab initio insights into catalytic desulfurization. Journal of Physical Chemistry C, 2020, 124(1): 446−458.

[10] Houyu Zhu, Guixia Li, Yongqing Gong, Xin Li, Xuefei Ding, Xiaoqing Lu*, L. Zhao, Y. Chi, Wenyue Guo*, Theoretical investigation on denitrifcation mechanism of piperidine: Effects of methylation versus protonation on C–N bond activation. Catalysis Letters, 2020, 150: 631–639.

[11] Guixia Li, Lianming Zhao, Houyu Zhu*, Xiuping Liu, Huifang Ma, Yanchen Yu, Wenyue Guo*, Insight into thiophene hydrodesulfurization on clean and S-modified MoP(010): a periodic density functional theory study. Physical Chemistry Chemical Physics, 2017, 19: 17449-17460.

[12] Guixia Li, Houyu Zhu*, Lianming Zhao, Wenyue Guo*, Huifang Ma, Yanchen Yu, Xiaoqing Lu, Yunjie Liu. Theoretical Survey of the Thiophene Hydrodesulfurization Mechanism on Clean and Single-Sulfur-Atom-Modified MoP(001). Journal of Physical Chemistry C, 2016, 120: 23009-23023.

[13] LianmingZhao, Sheng Guo, Haijun Liu, Houyu Zhu, Saifei Yuan, Wenyue Guo*.Density Functional Study of Hydrogen Evolution on Cobalt-EmbeddedCarbon Nanotubes: Effects of Doping and Surface Curvature. ACSApplied Nano Materials, 2018, 1(11): 6258-6268.

[14] XiupingLiu, Xue Li, Jing Li, Guixia Li, Sheng Guo, Houyu Zhu, LianmingZhao, Chunlian Hao, Wenyue Guo*. Anionic NbO-type copper organicframework decorated with carboxylate groups for light hydrocarbonsseparation under ambient conditions. Journal of MaterialsScience, 2018, 53(12): 8866-8877.

[15] XiupingLiu, Chunlian Hao, Jing Li, Yutong Wang, Yongchun Hou, Xue Li,Lianming Zhao, Houyu Zhu, Wenyue Guo*. An anionic metal–organicframework: metathesis of zinc(ii) with copper(ii) for efficientC3/C2 hydrocarbon and organic dye separation. InorganicChemistry Frontiers, 2018, 5(11): 2898-2905.

[16] XiupingLiu, Weidong Fan, Minghui Zhang, Guixia Li, Haijun Liu, DaofengSun, Lianming Zhao, Houyu Zhu, Wenyue Guo*. Enhancing lighthydrocarbon storage and separation through introducing Lewis basicnitrogen sites within a carboxylate-decorated copper–organicframework. Materials Chemistry Frontiers, 2018, 2(6):1146-1154.

[17] WeidongFan, Xiuping Liu, Xia Wang, Yue Li, Chengyong Xing, Yutong Wang,Wenyue Guo*, Liangliang Zhang, Daofeng Sun. Afluorine-functionalized microporous In-MOF with highphysicochemical stability for light hydrocarbon storage andseparation. Inorganic Chemistry Frontiers, 2018, 5(10):2445-2449.

[18] LianmingZhao, Pengpeng Sang, Sheng Guo, Xiuping Liu, Jing Li, Houyu Zhu,Wenyue Guo*. Promising monolayer membranes for CO2/N2/CH4separation: Graphdiynes modified respectively with hydrogen,fluorine, and oxygen atoms. Appl Surf Sci, 2017, 405(455-464.

[19] PengpengSang, Lianming Zhao, Jing Xu, Zemin Shi, Sheng Guo, Yanchen Yu,Houyu Zhu, Zifeng Yan, Wenyue Guo*. Excellent membranes forhydrogen purification: Dumbbell-shaped porous γ-graphynes.Int J Hydrogen Energy, 2017, 42(8): 5168-5176.

[20] YongDang, Lianming Zhao, Xiaoqing Lu, Jing Xu, Pengpeng Sang, ShengGuo, Houyu Zhu, Wenyue Guo*. Molecular simulation of CO2/CH4adsorption in brown coal: Effect of oxygen-, nitrogen-, andsulfur-containing functional groups. Appl Surf Sci, 2017,423(33-42.

[21] YongDang, Wenyue Guo*, Lianming Zhao, Houyu Zhu. Porous CarbonMaterials Based on Graphdiyne Basis Units by the Incorporation ofthe Functional Groups and Li Atoms for Superior CO2 Capture andSequestration. ACS Appl Mater Interfaces, 2017, 9(35):30002-30013.

[22] YuhuaChi, Lianming Zhao, Houyu Zhu, Wenyue Guo*. Effect of alloying onthe catalytic properties of Pt–Ni bimetallic subnanoclusters: atheoretical investigation. Theor Chem Acc, 2017, 136(9): 111.

[23] JingXu, Wei Xing, Haifeng Wang, Wenbin Xu, Qiuyue Ding, Lianming Zhao,Wenyue Guo*, Zifeng Yan. Monte Carlo simulation study of thehalogenated MIL-47(V) frameworks: influence of functionalizationon H2S adsorption and separation properties. Journal ofMaterials Science, 2016, 51(5): 2307-2319.

[24] XiaoqingLu, Weili Wang, Zhigang Deng, Houyu Zhu, Shuxian Wei, Siu-Pang Ng,Wenyue Guo*, Chi-Man Lawrence Wu. Methanol oxidation on Ru(0001)for direct methanol fuel cells: analysis of the competitivereaction mechanism. RSC Adv, 2016, 6(3): 1729-1737.

[25] XiupingLiu, Zhenyu Xiao, Jing Xu, Wenbin Xu, Pengpeng Sang, LianmingZhao, Houyu Zhu, Daofeng Sun, Wenyue Guo*. A NbO-type coppermetal–organic framework decorated with carboxylate groupsexhibiting highly selective CO2 adsorption and separation oforganic dyes. Journal of Materials Chemistry A, 2016, 4(36):13844-13851.

[26] QiuyueDing, Wenbin Xu, Pengpeng Sang, Jing Xu, Lianming Zhao, Xiaoli He,Wenyue Guo*. Insight into the Reaction Mechanisms of Methanol onPtRu/Pt(111): A Density Functional Study. Appl Surf Sci, 2016,369(257-266.

[27] YuhuaChi, Lianming Zhao, Xiaoqing Lu, Changhua An, Wenyue Guo*, Chi-ManLawrence Wu. Effect of alloying on the stabilities and catalyticproperties of Pt–Au bimetallic subnanoclusters: a theoreticalinvestigation. Journal of Nanoparticle Research, 2016, 18(3):78.

[28] LianmingZhao, Shengping Wang, Qiuyue Ding, Wenbin Xu, Pengpeng Sang, YuhuaChi, Xiaoqing Lu, Wenyue Guo*. The Oxidation of Methanol onPtRu(111): A Periodic Density Functional Theory Investigation.The Journal of Physical Chemistry C, 2015, 119(35): 20389-20400.

[29] LianmingZhao, Qiuyue Ding, Wenbin Xu, Pengpeng Sang, Xiaoli He, Zemin Shi,Yuhua Chi, Xiaoqing Lu, Wenyue Guo*. The ligand effect on theselective C–H versus C–C bond activation of propane by NiBr+:a theoretical study. Theor Chem Acc, 2015, 134(3): 27.

[30] WenbinXu, Qiuyue Ding, Pengpeng Sang, Jing Xu, Zemin Shi, Lianming Zhao,Yuhua Chi, Wenyue Guo*. Effect of Modified Metal Center in Ligandfor CO2 Capture in Novel Zr-Based Porphyrinic Metal–OrganicFrameworks: A Computational Investigation. The Journal ofPhysical Chemistry C, 2015, 119(38): 21943-21951.

[31] JingXu, Pengpeng Sang, Lianming Zhao, Wenyue Guo*, Fei Qi, Wei Xing,Zifeng Yan. Vacuum ultraviolet photofragmentation of octadecane:photoionization mass spectrometric and theoretical investigation. Applied Petrochemical Research, 2015, 5(4): 305-311.

[32] JingXu, Pengpeng Sang, Wei Xing, Zemin Shi, Lianming Zhao, Wenyue Guo*, Zifeng Yan. Insights into the H2/CH4 Separation ThroughTwo-Dimensional Graphene Channels: Influence of EdgeFunctionalization. Nanoscale Res Lett, 2015, 10(1): 492.

[33] ShuxianWei, Xiaofan Shi, Xiaoqing Lu, Yang Shao, Dongliang Jin, ZhigangDeng, Zigang Zhao, Ke Li, Wenyue Guo*. Cu (I)-Based SensitizersFeaturing 6, 6′-Dimethyl-4, 4′-Dicarboxylate-2, 2′-Bipyridinewith Functionalized 2, 9-Dimethyl-1, 10-Phenanthroline Ligands: AStructural, Electronic and Spectral Investigation. Science ofAdvanced Materials, 2015, 7(7): 1361-1367.

[34] HaifengWang, Lianming Zhao, Wenbin Xu, Shengping Wang, Qiuyue Ding,Xiaoqing Lu, Wenyue Guo*. The properties of the bonding between COand ZIF-8 structures: a density functional theory study. TheorChem Acc, 2015, 134(3): 31.

[35] HongguangSui, Fengyun Zhang, Fei Hou, Lianming Zhao, Wenyue Guo*, Jun Yao.Theoretical Investigation of the Methanol Decomposition by Fe+ andFe(C2H4)+: A π-Type Ligand Effect. The Journal of PhysicalChemistry A, 2015, 119(40): 10204-10211.

[36] XiaLong, Guixia Li, Zilong Wang, HouYu Zhu, Teng Zhang, Shuang Xiao,Wenyue Guo*, Shihe Yang. Metallic Iron–Nickel Sulfide UltrathinNanosheets As a Highly Active Electrocatalyst for HydrogenEvolution Reaction in Acidic Media. J Am Chem Soc, 2015,137(37): 11900-11903.

[37] YuhuaChi, Lianming Zhao, Xiaoqing Lu, Changhua An, Wenyue Guo*, YunqiLiu, Chi-Man Lawrence Wu. Effects of subnanometer silver clusterson the AgBr(110) photocatalyst surface: a theoreticalinvestigation. Catalysis Science & Technology, 2015,5(10): 4821-4829.

[38] ShuxianWei, Xiaoqing Lu, Xiaofan Shi, Zhigang Deng, Yang Shao, LianmingZhao, Wenyue Guo*, Chi-Man Lawrence Wu. Theoretical insight intoorganic dyes incorporating triphenylamine-based donors and binaryπ -conjugated bridges for dye-sensitized solar cells.International Journal of Photoenergy, 2014

[39] DianlingFu, Wenyue Guo*, Ming Li, Houyu Zhu, Yunjie Liu. Adsorption andreaction mechanisms of SO 2 on Rh(111) surface: A first-principlestudy. J Mol Struct, 2014, 1062(1): 68-76.

[40] JinDongliang, Lu Xiaoqing, Zhang Mingmin, Wei Shuxian, Zhu Qing, ShiXiaofan, Shao Yang, Wang Weili, Wenyue Guo. The adsorptionbehaviour of CH4 on microporous carbons: effects of surfaceheterogeneity. Physical Chemistry Chemical Physics Pccp, 2014,16(22): 11037-11046.

[41] ZhigangDeng, Xiaoqing Lu, Zengqiang Wen, Shuxian Wei, Qing Zhu, DongliangJin, Xiaofan Shi, Wenyue Guo*. Decomposition mechanism ofmethylamine to hydrogen cyanide on Pt(111): selectivity of theC–H, N–H and C–N bond scissions. RSC Adv, 2014, 4(24):12266-12274.

[42] YuhuaChi, Lianming Zhao, Xiaoqing Lu, Wenyue Guo*, Yunqi Liu, Chi-ManLawrence Wu. Effects of atomic Ag on AgBr photocatalyst surfaces:a theoretical survey. RSC Adv, 2014, 4(62): 33134-33143.

[43] GuangwuYang, Qing Wang, Chengcheng Miao, Zhongheng Bu, Wenyue Guo*.Enhanced photovoltaic performance of dye-sensitized solar cellsbased on ZnO microrod array/TiO2 nanoparticle hybrid films.Journal of Materials Chemistry A, 2013, 1(9): 3112-3117.

[44] GuangwuYang, Chengcheng Miao, Zhongheng Bu, Qing Wang, Wenyue Guo*. Seedfree and low temperature growth of ZnO nanowires in mesoporousTiO2 film for dye-sensitized solar cells with enhancedphotovoltaic performance. J Power Sources, 2013, 233, 74-78.

[45] XiaoqingLu, Zhigang Deng, Ka-Shing Chau, Longfei Li, Zengqiang Wen, Wenyue Guo*, Chi-Man Lawrence Wu. Mechanistic Insight into CatalyticOxidation of Ammonia on Clean, O- and OH-Assisted Ir(1 1 1)Surfaces. ChemCatChem, 2013, 5(7): 1832-1841.

[46] Wenyue Guo*, Ming Li, Xiaoqing Lu, Houyu Zhu, Yang Li, Shaoren Li, Lianming Zhao. Ethanol decomposition on a Pd(110) surface: adensity functional theory investigation. Dalton Transactions,2013, 42(6): 2309-2318.

[47] JuanChen, Liangyuan Jia, Lianming Zhao, Xiaoqing Lu, Wenyue Guo*,Junjie Weng, Fei Qi. Analysis of Petroleum Aromatics byLaser-Induced Acoustic Desorption/Tunable Synchrotron VacuumUltraviolet Photoionization Mass Spectrometry. Energy &Fuels, 2013, 27(4): 2010-2017.

[48] LianmingZhao, Xiaoqing Lu, Yuanyuan Li, Juan Chen, Wenyue Guo*. On theGas-Phase Co+-Mediated Oxidation of Ethane by N2O: A MechanisticStudy. The Journal of Physical Chemistry A, 2012, 116(12):3282-3289.

[49] XiaoqingLu, Li Liu, Yang Li, Wenyue Guo*, Lianming Zhao, Honghong Shan.Theoretical analysis of the conversion mechanism of acetylene toethylidyne on Pt(111). Physical Chemistry Chemical Physics,2012, 14(16): 5642-5650.

[50] YangLi, Wenyue Guo*, Houyu Zhu, Lianming Zhao, Ming Li, Shaoren Li,Dianling Fu, Xiaoqing Lu, Honghong Shan. Initial Hydrogenations ofPyridine on MoP(001): A Density Functional Study. Langmuir,2012, 28(6): 3129-3137.

[51] YuanyuanLi, Wenyue Guo*, Lianming Zhao, Zhaochun Liu, Xiaoqing Lu,Honghong Shan. Theoretical Investigation of the Reaction of Mn+with Ethylene Oxide. The Journal of Physical Chemistry A,2012, 116(1): 512-519.

[52] ShaorenLi, Xiaoqing Lu, Wenyue Guo*, Houyu Zhu, Ming Li, Lianming Zhao,Yang Li, Honghong Shan. Formaldehyde oxidation on the Pt/TiO2(101)surface: A DFT investigation. J Organomet Chem, 2012,704(38-48.

[53] LiangyuanJia, Junjie Weng, Zhongyue Zhou, Fei Qi, Wenyue Guo*, LianmingZhao, Juan Chen. Note: Laser-induced acousticdesorption/synchrotron vacuum ultraviolet photoionization massspectrometry for analysis of fragile compounds and heavy oils.Review of Scientific Instruments, 2012, 83(2): 026105.

[54] KunpengGuo, Keyou Yan, Xiaoqing Lu, Yongcai Qiu, Zhike Liu, Jianwei Sun,Feng Yan, Wenyue Guo*, Shihe Yang. Dithiafulvenyl Unit as a NewDonor for High-Efficiency Dye-Sensitized Solar Cells: Synthesisand Demonstration of a Family of Metal-Free Organic Sensitizers. Org Lett, 2012, 14(9): 2214-2217.

[55] HouyuZhu, Wenyue Guo*, Ming Li, Lianming Zhao, Shaoren Li, Yang Li,Xiaoqing Lu, Honghong Shan. Density Functional Theory Study of theAdsorption and Desulfurization of Thiophene and Its HydrogenatedDerivatives on Pt(111): Implication for the Mechanism ofHydrodesulfurization over Noble Metal Catalysts. ACS Catal,2011, 1(11): 1498-1510.

[56] XiaoqingLu, Shuxian Wei, Chi-Man Lawrence Wu, Shaoren Li, Wenyue Guo*. CanPolypyridyl Cu(I)-based Complexes Provide Promising Sensitizersfor Dye-Sensitized Solar Cells? A Theoretical Insight into Cu(I)versus Ru(II) Sensitizers. The Journal of Physical ChemistryC, 2011, 115(9): 3753-3761.

[57] XiaoqingLu, Shuxian Wei, Chi-Man Lawrence Wu, Wenyue Guo*, Lianming Zhao.Theoretical characterization of ruthenium complexes containingfunctionalized bithiophene ligands for dye-sensitized solar cells. J Organomet Chem, 2011, 696(8): 1632-1639.

[58] RuibinJiang, Wenyue Guo*, Ming Li, Houyu Zhu, Lianming Zhao, Xiaqing Lu,Honghong Shan. Methanol dehydrogenation on Rh(111): A densityfunctional and microkinetic modeling study. Journal ofMolecular Catalysis A: Chemical, 2011, 344(1): 99-110.

[59] HouyuZhu, Wenyue Guo*, Ruibin Jiang, Lianming Zhao, Xiaoqing Lu, MingLi, Dianling Fu, Honghong Shan. Decomposition of Methanthiol onPt(111): A Density Functional Investigation. Langmuir, 2010,26(14): 12017-12025.

[60] XiaoqingLu, Chi-Man Lawrence Wu, Shuxian Wei, Wenyue Guo*. DFT/TD-DFTInvestigation of Electronic Structures and Spectra Properties ofCu-Based Dye Sensitizers. The Journal of Physical Chemistry A,2010, 114(2): 1178-1184.

[61] XiaoqingLu, Shuxian Wei, Wenyue Guo*, Chi-Man Lawrence Wu. MechanisticInsight into the Gas-Phase Reactions of Methylamine with GroundState Co+(3F) and Ni+(2D). The Journal of Physical ChemistryA, 2010, 114(47): 12490-12497.

[62] ZhaochunLiu, Wenyue Guo*, Lianming Zhao, Honghong Shan. TheoreticalInvestigation of the Oxidation of Propane by FeO+. The Journalof Physical Chemistry A, 2010, 114(7): 2701-2709.

[63] MingLi, Wenyue Guo*, Ruibin Jiang, Lianming Zhao, Honghong Shan.Decomposition of Ethanol on Pd(111): A Density Functional TheoryStudy. Langmuir, 2010, 26(3): 1879-1888.

[64] MingLi, Wenyue Guo*, Ruibin Jiang, Lianming Zhao, Xiaoqing Lu, HouyuZhu, Dianling Fu, Honghong Shan. Density Functional Study ofEthanol Decomposition on Rh(111). The Journal of PhysicalChemistry C, 2010, 114(49): 21493-21503.

[65] MingLi, Wenyue Guo*, Ruibin Jiang, Lianming Zhao, Xiaoqing Lu, HouyuZhu, Dianling Fu, Honghong Shan. Mechanism of the EthyleneConversion to Ethylidyne on Rh(111): A Density FunctionalInvestigation. The Journal of Physical Chemistry C, 2010,114(18): 8440-8448.

[66] RuibinJiang, Wenyue Guo*, Ming Li, Xiaoqing Lu, Jianye Yuan, HonghongShan. Dehydrogenation of methanol on Pd(100): comparison with theresults of Pd(111). Physical Chemistry Chemical Physics, 2010,12(28): 7794-7803.

[67] RuibinJiang, Wenyue Guo*, Ming Li, Houyu Zhu, Jing Li, Lianming Zhao,Dianling Fu, Honghong Shan. Density Functional Study of theReaction of SO2 on Ir(111). The Journal of Physical ChemistryC, 2009, 113(42): 18223-18232.