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

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

主讲课程

本科生《固体物理》、研究生《分子光谱》

指导研究生及博士后

累计指导博士生10余人，硕士生40余人，指导的多篇研究生学位论文获省级或校级优秀论文。

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]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 [J]. ACSApplied Nano Materials, 2018, 1(11): 6258-6268.

[2]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 [J]. Journal of MaterialsScience, 2018, 53(12): 8866-8877.

[3]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 [J]. InorganicChemistry Frontiers, 2018, 5(11): 2898-2905.

[4]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 [J]. Materials Chemistry Frontiers, 2018, 2(6):1146-1154

[5]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 [J]. Inorganic Chemistry Frontiers, 2018, 5(10):2445-2449

[6]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 [J]. Appl Surf Sci, 2017, 405(455-464.

[7]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 [J].Int J Hydrogen Energy, 2017, 42(8): 5168-5176.

[8]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 [J]. Appl Surf Sci, 2017,423(33-42.

[9]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 [J]. ACS Appl Mater Interfaces, 2017, 9(35):30002-30013

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

[11]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 [J]. Journal ofMaterials Science, 2016, 51(5): 2307-2319.

[12]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 [J]. RSC Adv, 2016, 6(3): 1729-1737.

[13]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 [J]. Journal of Materials Chemistry A, 2016, 4(36):13844-13851.

[14]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 [J]. Appl Surf Sci, 2016,369(257-266.

[15]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 [J]. Journal of Nanoparticle Research, 2016, 18(3):78.

[16]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 [J].The Journal of Physical Chemistry C, 2015, 119(35): 20389-20400.

[17]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 [J]. Theor Chem Acc, 2015, 134(3): 27.

[18]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 [J]. The Journal ofPhysical Chemistry C, 2015, 119(38): 21943-21951.

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

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

[21]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 [J]. Science ofAdvanced Materials, 2015, 7(7): 1361-1367

[22]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 [J]. TheorChem Acc, 2015, 134(3): 31.

[23]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 [J]. The Journal of PhysicalChemistry A, 2015, 119(40): 10204-10211

[24]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]. J Am Chem Soc, 2015,137(37): 11900-11903

[25]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 [J]. Catalysis Science & Technology, 2015,5(10): 4821-4829.

[26]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 [J].International Journal of Photoenergy, 2014

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

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

[29]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 [J]. RSC Adv, 2014, 4(24):12266-12274.

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

[31]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 [J].Journal of Materials Chemistry A, 2013, 1(9): 3112-3117.

[32]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]. J Power Sources, 2013, 233(74-78.

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

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

[35]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 [J]. Energy &Fuels, 2013, 27(4): 2010-2017.

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

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

[38]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 [J]. Langmuir,2012, 28(6): 3129-3137.

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

[40]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]. J Organomet Chem, 2012,704(38-48.

[41]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 [J].Review of Scientific Instruments, 2012, 83(2): 026105.

[42]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[J]. Org Lett, 2012, 14(9): 2214-2217.

[43]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 [J]. ACS Catal,2011, 1(11): 1498-1510.

[44]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 [J]. The Journal of Physical ChemistryC, 2011, 115(9): 3753-3761.

[45]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]. J Organomet Chem, 2011, 696(8): 1632-1639.

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

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

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

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

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

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

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

[53]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 [J]. The Journal of Physical Chemistry C, 2010,114(18): 8440-8448.

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

[55]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) [J]. The Journal of Physical ChemistryC, 2009, 113(42): 18223-18232.