赵联明

发布时间:2018-12-13浏览次数:2560

赵联明(副教授)

姓名:赵联明

系属:材料物理

学位:博士

职称:副教授

专业:材料科学与工程

导师类别:硕导

电子邮箱:lmzhao@upc.edu.cn

通讯地址:山东省青岛市黄岛区长江西路66

概况

  • 研究方向

1、新能源材料:利用第一性原理和实验相结合的方法研究燃料电池、锂离子电池、超级电容器和电解水等电极材料微观结构与性能之间的内禀关系。通过系统研究,设计并制备出经济、高效的电极材料。其相关成果已发表在Energy & Environmental ScienceChemical Engineering JournalCarbonACS Applied Materials and InterfacesACS Applied Nano Materials等国际学术期刊。


2、油气催化转化材料:研究石油化工中脱硫、脱氮过程以及高附加值精细化工过程(如甲醇氧化等)的催化机理和高效催化剂的设计开发。其相关成果已发表在Journal of CatalysisJournal of Materials Chemistry AApplied Catalysis B: EnvironmentalMicroporous and Mesoporous Materials等国际学术期刊。

3、新型气体吸附与分离材料:利用实验与多尺度模拟相结合的方法研究金属有机骨架材料和石墨烯等新型多孔材料在气体吸附分离方面的应用。从原子分子层次认识材料结构与吸附性能间的关系,模拟设计和搭建功能优异的新型吸附材料,通过材料的实验室合成和制备,实现新型高效吸附材料的开发利用。其相关成果已发表在Journal of Materials Chemistry ATheJournal of Physical Chemistry CApplied Surface Science等国际学术期刊。

u 教育经历

2006.09-2009.07,中国石油大学(华东),化学工程与技术,博士

2003.09-2006.07,中国石油大学(华东),无线电物理,硕士

1999.09-2003.07,山东师范大学,物理,学士

u 工作经历

2011.12-至今,中国石油大学(华东),副教授

2018.09-2019.09,美国伊利诺伊大学香槟分校,访问学者

2009.07-2011.11,中国石油大学(华东),讲师

u 学术兼职

中国化工学会会员、中国化工学会化工新材料委员会会员、中国石油大学报青年编委、《Catalysis Science & Technology》《Applied Surface Science》《Journal of Physical Chemistry C》《Physical Chemistry Chemical Physics》《Computational Materials Science》等国际期刊审稿人。

u 主讲课程

本科生《新能源材料与器件》、《计算材料学》、《计算机分子模拟》、研究生《分子反应动力学》。

u 指导研究生及博士后

累计指导硕士生10余人。

u 承担项目

1、国家自然科学基金项目4

2011.012013.12气相过渡金属离子与有机分子若干基本反应的理论研究(项目编号21003158),主持,结题。

2010.012012.12,红外激光解吸/同步辐射VUV光电离-高分辨质谱用于重质油结构分析的研究(项目编号10979077),参与,结题。

2018.012021.12,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21776315),参与,在研。

2019.012021.12,用于H2电化学氧化的Ni基纳米催化剂研究(项目编号21805307),参与,在研。

2、山东省自然科学基金4

2012.072014.12PtRu合金催化甲醇燃料电池阳极反应机理的第一性原理研究(项目编号BS2012NJ015),主持,已结题。

2015.072017.07碳纳米管封装金属纳米颗粒的电子结构及氧还原活性理论研究(项目编号ZR2015BQ009),主持,已结题。

2011.072014.12,纳米结构的串叠型太阳能电池的模型设计与性能研究(项目编号ZR2011EMQ003),参与,结题。

2011.072014.12,染料敏化太阳能电池关键材料的设计(项目编号ZR2011EMZ002),参与,结题。

3、中石油创新基金3

2009.052010.12重质油高效清洁脱硫脱氮催化机理研究(项目编号2009D-5006-04-07),参与,已结题。

2013.052015.06磷化钼加氢脱硫脱氮机理的理论研究(项目编号2013D-5006-0406),参与,已结题。

2018.072020.06氢气高效利用的燃料电池催化剂新技术研究(项目编号2018D-5007-0504),参与,在研。

4、中国石油大学基金3

2019.012021.12,用于电化学氧还原的IVV族金属氧化物/MXene纳米催化剂研究(项目编号19CX05001A),主持,已结题。

2013.062015.05,沸石咪唑酯骨架结构材料(ZIF)催化性质的理论研究(项目编号14CX02004A),主持,已结题。

2010.012012.12,第一过渡周期金属离子与有机分子的气相反应研究(项目编号Y0918020),主持,已结题。

5、企业技术开发项目

2019.112020.09,质子交换膜燃料电池阴极高效催化剂的研究开发(项目编号JM201910001),参与,已结题。

u 获奖情况

1、教学奖励:

理学院优秀青年教师教案,2012;理学院青年教师教案一等奖,2013年。

2、科研奖励:

中国石油大学(华东)优秀本科毕业设计指导教师,2014年。

u 荣誉称号

2012.12,中国石油大学(华东)青年骨干教师;2014.12,中国石油大学(华东)优秀工会干部;2016.12,中国石油大学(华东)优秀班主任。

u 论文

1) 第一作者和/或通讯作者论文

[44] Yu Zhang#, Lianming Zhao#, Xuyang Wang, Xiaoning Wang, Honglin Li, Han Hu, Zhuangjun Fan, Zifeng Yan. Boosted energy storage via carbon surface passivation has been accepted for publication in Carbon. Carbon 2021, Accepted.

[43] Xiaoning Wang, Xuejin Li, Tonghui Cai, Yongpeng Cui, Dongqing Kong, Jing Xu, Haoyu Hu, Yesheng Wang, Han Hu, Xiuli Gao, Yanpeng Li, Qingzhong Xue, Zifeng Yan, Lianming Zhao*, Wei Xing*. Enhancing hydrogen oxidation electrocatalysis of nickel-based catalyst by simultaneous chemical anchoring and electronic structure regulation. Chemical Engineering Journal 2021, 425: 130654.

[42] Yesheng Wang 1, Yongpeng Cui 1, Dongqing Kong, Xiaoning Wang, Bin Li, Tonghui Cai, Xuejin Li, Jing Xu, Yanpeng Li, Youguo Yan, Han Hu, Mingbo Wu, Qingzhong Xue, Zifeng Yan, Lianming Zhao*, Wei Xing*. Stimulation of surface terminating group by carbon quantum dots for improving pseudocapacitance of Ti3C2Tx MXene based electrode. Carbon 2021, 180: 118-126.

[41] Lianming Zhao*, Yonghui Liu, Xiaonan Han, Yanping Ding, Weichao Kong, Yanfu Tong, Jing Xu*, Wei Xing. Theoretical study of the alkaline hydrogen oxidation reaction on Ni-based nanocluster Catalysts: Effects of graphene supports and dopants. Applied Surface Science 2021, 567: 150895.

[40] Pingping Wu, Haijun Liu, Yunxiang Cao, Shibo Xi, Zhiheng Li, Zhengke He, Lei Song, Jing Xu, Peng Bai*, Lianming Zhao*, Zifeng Yan.Mesostructured cellular foam silica supported Au–Pt nanoalloy: Enrichment of D-state electrons for promoting the catalytic synergy. Microporous and Mesoporous Materials 2021, 316: 110982.

[37] Lianming Zhao,* Haijun Liu, Yonghui Liu, Xiaonan Han, Jing Xu, Wei Xing, and Wenyue Guo*. Mechanistic insights into the hydrogen oxidation reaction on PtNi alloys in alkaline media: A first-principles investigation. ACS Applied Materials & Interfaces 2020, 12, 40248−40260.

[36] Haijun Liu, Lianming Zhao,* Yonghui Liu, Jing Xu, Houyu Zhu, Wenyue Guo*. Enhancing hydrogen evolution activity by doping and tuning the curvature of manganeseembedded carbon nanotubes. Catalysis Science & Technology 2019 9: 5301–5314.

[35] Lianming Zhao, Sheng Guo, Haijun Liu, Houyu Zhu, Saifei Yuan, and Wenyue Guo.* Density functional study of hydrogen evolution on cobalt-embedded carbon nanotubes: effects of doping and surface curvature. ACS Applied Nano Materials 2018, 1: 6258−626.

[34] Xiuping Liu, Zhenyu Xiao, Jing Xu, Wenbin Xu, Pengpeng Sang, Lianming Zhao,* Houyu Zhu, Daofeng Sun,* Wenyue Guo.* A NbO-type copper metal–organic framework decorated with carboxylate groups exhibiting highly selective CO2 adsorption and separation of organic dyes. Journal of Materials Chemistry A2016, 4: 13844–13851.

[33] Xiuping Liu, Weidong Fan, Minghui Zhang, Guixia Li, Haijun Liu, Daofeng Sun, Lianming Zhao,* Houyu Zhu and Wenyue Guo.* Enhancing light hydrocarbon storage and separation through introducing Lewis basic nitrogen sites within a carboxylate-decorated copper–organic framework. Materials Chemistry Frontiers 2018, 2: 1146–1154.

[32]Lianming Zhao,* Shengping Wang, Qiuyue Ding, Wenbin Xu, Pengpeng Sang, Yuhua Chi, Xiaoqing Lu, Wenyue Guo. The oxidation of methanol on PtRu(111): a periodic density functional theory investigation. TheJournal of Physical Chemistry C 2015, 119: 20389–20400.

[31]Wenbin Xu, Qiuyue Ding, Pengpeng Sang, Jing Xu, Zemin Shi, Lianming Zhao,* Yuhua Chi, Wenyue Guo.*The effect of modified metal center in ligand for CO2 capture in novel Zr-based porphyrinic metal-organic frameworks: a computational investigation. The Journal of Physical Chemistry C2015, 119 (35) : 20389–20400.

[30] Lianming Zhao, Pengpeng Sang, Sheng Guo, Xiuping Liu, Jing Li, Houyu Zhu, Wenyue Guo.Promising monolayer membranes for CO2/N2/CH4 separation: graphdiynes modified respectively with hydrogen, fluorine, and oxygen atoms. Applied Surface Science 2017, 405: 455–464.

[29] Qiuyue Ding, Wenbin Xu, Pengpeng Sang, Jing Xu, Lianming Zhao,* Xiaoli He, Wenyue Guo. Insight into the reaction mechanisms of methanol on PtRu/Pt(111): A density functional study. Applied Surface Science 2016, 369: 257–266.

[28] Lianming Zhao, Zhaochun Liu, Wenyue Guo,* Lizhen Zhang, Fengyun Zhang, Houyu Zhua, Honghong Shan.* Theoretical investigation of the gas-phase Mn+- and Co+-catalyzed oxidation of benzene by N2O. Physical Chemistry Chemical Physics 2009, 11(21): 42194229.

[27] Pengpeng Sang, Lianming Zhao,* Jing Xu, Zemin Shi, Sheng Guo, Yanchen Yu, Houyu Zhu, Zifeng Yan, Wenyue Guo,* Excellent membranes for hydrogen purification: dumbbell-shaped porous g-graphynes. International Journal of Hydrogen Energy 2017, 42: 5168–5176.

[26] Lianming Zhao, Wenyue Guo,* Rongrong Zhang, Shujuan Wu, Xiaoqing Lu. Theoretical investigation of the decarbonylation of acetaldehyde by Fe+ and Cr+. ChemPhysChem2006, 7(6): 13451354.

[25] Jing Xu, Sheng Guo, Fei Hou, Jing Li, Lianming Zhao.* Methanol oxidation on the PtPd(111) alloy surface: a density functional theory study.International Journal of Quantum Chemistry 2018,118: e25491.

[24] Jing Xu, Pengpeng Sang, Wei Xing, Zemin Shi, Lianming Zhao,* Wenyue Guo, Zifeng Yan.* Insights into the H2/CH4 separation through two-dimensional graphene channels: influence of edge functionalization. Nanoscale Research Letters 2015, 10:492.

[23] Jing Xu, Wei Xing, Lianming Zhao,* Feifei Guo, Xiaozhong Wu, Wenbin Xu, Zifeng Yan.* The CO2 storage capacity of the intercalated diaminoalkane graphene oxides: a combination of experimental and simulation studies. Nanoscale Research Letters 2015, 10:318.

[22] Xiuping Liu, Xue Li, Jing Li, Guixia Li, Sheng Guo, Houyu Zhu, Lianming Zhao,* Chunlian Hao, and Wenyue Guo1.* Anionic NbO-type copper organic framework decorated with carboxylate groups for light hydrocarbons separation under ambient conditions. Journal of Materials Science 2018, 53:8866–8877.

[21] Jing Xu, Sainan Zhou, Pengpeng Sang, Jing Li, and Lianming Zhao,* Inorganic graphenylene as a promising novel boron nitrogen membrane for hydrogen purification: a computational study. Journal of Materials Science 2017, 52: 10285–10293. (Cover Paper)

[20] Jing Xu, Wei Xing, Haifeng Wang, Wenbin Xu, Qiuyue Ding, Lianming Zhao,* Wenyue Guo, Zifeng Yan.* Monte Carlo simulation study of the halogenated MIL-47(V) frameworks: influence of functionalization on H2S adsorption and separation properties. Journal of Materials Science 2016, 51:2307–2319.

[19] Hongguang Sui, Fengyun Zhang, Fei Hou, Lianming Zhao,* Wenyue Guo, Jun Yao.*Theoretical investigation of the methanol decomposition by Fe+ and Fe(C2H4)+: a πtype ligand eect. The Journal of Physical Chemistry A2015, 119: 1020410211.

[18] Lianming Zhao,* Min Tan, Juan Chen, Qiuyue Ding, Xiaoqing Lu, Yuhua Chi, Guangwu Yang, Wenyue Guo,* Qingtao Fu. The competitive O-H versus C-H bond activation of ethanol and methanol by VO2+ in gas-phase: a DFT study.The Journal of Physical Chemistry A 2013, 117: 5161−5170.

[17] Lianming Zhao,* Xiaoqing Lu, Yuanyuan Li, Juan Chen, Wenyue Guo.* On the gas-phase Co+-mediated oxidation of ethane by N2O: A mechanistic study. The Journal of Physical Chemistry A 2012, 116:3282–3289.

[16] Yuanyuan Li, 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): 512519.

[15] Zhaochun Liu, Wenyue Guo,*Lianming Zhao,* Honghong Shan. Theoretical investigation of the oxidation of propane by FeO+. The Journal of Physical Chemistry A 2010, 114(7): 27012709.

[14] Lianming Zhao, Yong Wang, Wenyue Guo,* Honghong Shan,* Xiaoqing Lu, Tianfang Yang. Theoretical investigation of the Fe+-catalyzed oxidation of acetylene by N2O. The Journal of Physical Chemistry A 2008, 112(25): 5676–5683.

[13] Lianming Zhao, Wenyue Guo,* Tianfang Yang, Xiaoqing Lu. Theoretical survey of the potential energy surface of methyl nitrite + Cu+ reaction. The Journal of Physical Chemistry A 2008, 112(3): 533–541.

[12] Yuhua Chi,* Lianming Zhao,* Houyu Zhu, Wenyue Guo.* Effect of alloying on the catalytic properties of Pt-Ni bimetallic subnanoclusters: a theoretical investigation. Theoretical Chemistry Accounts 2017, 136: 111.

[11] Fengyun Zhang,* Hongguang Sui, Lianming Zhao,* Yahui Guo, Li Tang, Wenyue Guo. Theoretical investigation of the reaction of ethanol with ground state Co+(3F). Theoretical Chemistry Accounts 2016 135:245.

[10] Lianming Zhao,* Qiuyue Ding, Wenbin Xu, Pengpeng Sang, Xiaoli He, Zemin Shi, Yuhua Chi, Xiaoqing Lu, Wenyue Guo. The ligand effect on the selective C–H versus C–C bond activation of propane by NiBr+: a theoretical study. Theoretical Chemistry Accounts 2015, 134:27.

[9] Haifeng Wang, Lianming Zhao,* Wenbin Xu, Shengping Wang, Qiuyue Ding, Xiaoqing Lu, Wenyue Guo. The properties of the bonding between CO and ZIF‑8 structures: a density functional theory study. Theoretical Chemistry Accounts 2015, 134:27.

[8] Lianming Zhao,* Wenyue Guo,* Zhaochun Liu, Yuanyuan Li, Xiaoqing Lu. Theoretical study of the gas-phase Fe+-mediated oxidation of ethane by N2O. Theoretical Chemistry Accounts 2011, 128(3): 349358.

[7] Lianming Zhao, Zhaochun Liu, Wenyue Guo,* Xiaoqing Lu, Xianqing Lin, Honghong Shan.* Mechanisms for the Ni+-mediated oxidation of benzene to phenol by N2O. Chemical Physics Letters2008, 463(1-3): 5459.

[6] Lianming Zhao, Rongrong Zhang, Wenyue Guo,* Xiaoqing Lu. The oxidation pathways of Ti+ by acetaldehyde in the gas phase: A density functional theory investigation. Chemical Physics Letters2006, 431(1-3): 5661.

[5] Lianming Zhao, Rongrong Zhang, Wenyue Guo,* Shujuan Wu, Xiaoqing Lu. Does the Co+-assisted decarbonylation of acetaldehyde occur via C-C or C-H activation? A theoretical investigation using density functional theory. Chemical Physics Letters 2005, 414(1-3): 2833.

[4] Fengyun Zhang, Lianming Zhao,* Hongguang Sui, Xiaoqing Lu, Guangwu Yang, Yahui Guo, Wenyue Guo,* Qingtao Fu. Reactivity of ethanol with ground state Ni+(D2) in the gas phase: a density functional study. Computational and Theoretical Chemistry 2013, 1023: 29–37.

[3] Jing Xu, 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 Research2015, 5, 305311.

[2] Jing Xu, Jing Li, Haijun Liu, Lianming Zhao.* Nitrogen-modified graphdiyne as a promising membrane for helium separation: first-principles and molecular dynamics simulations.ICNFCM, 2017, Hong Kong.

[1] Jing Xu, Pengpeng Sang, Lianming Zhao,*Wei Xing, Zifeng Yan.* Adsorption and seperation of H2S in HKUST-1 metal−organic frameworks: a Monte Carlo simulation study. ISCEMP2015, Yang Zhou, China.

2)合作论文

[58] Yu Gu, Haijun Liu, Miaomiao Yang, Zhipeng Maa, Lianming Zhao, Wei Xing, Pingping Wu, Xinmei Liu,  Peng Bai*, Zifeng Yan.* Highly stable phosphine modified VOx/Al2O3 catalyst in propane dehydrogenation. Applied Catalysis B: Environmental 2020, 274: 119089.

[57] Yuxiang Liu, Dejiang Zheng, Lianming Zhao, Peng Peng, Xiaosheng Wang, Lu Li, Shitao Yu*, Shiwei Liu, Xinmei Liu*, Zifeng Yan. Effect of fluoride ions on the stability of SAPO-11 molecular sieves. Microporous and Mesoporous Materials 2020, 306: 110461.

[56] 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 Smdoped CeO2(1 1 1) surfaces. Applied Surface Science 2020, 511: 145388.

[55] 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, 446−458.

[54] Edgar Muhumuza, Pingping Wu, Tian Nan, Lianming Zhao, Peng Bai,*  Zifeng Yan, Industrial & Engineering Chemistry Research 2020, 59, 21322−21332.

[53] Pingping Wu, Yunxiang Cao, Lianming Zhao, Yue Wang, Zhengke He, Wei Xing, Peng Bai,* Zifeng Yan, Formation of PdO on Au–Pd bimetallic catalysts and the effect on benzyl alcohol oxidation. Journal of Catalysis 2019, 375: 32–43.

[52] Jing Xu, Xiaochen Li, Xuejin Li*, Shuo Li, Lianming Zhao, Dandan Wang, Wei Xing, Zifeng Yan*. Free-standing cotton-derived carbon microfiber@nickel-aluminum layered double hydroxides composite and its excellent capacitive performance. Journal of Alloys and Compounds 2019, 787: 27-35.

[51] Jing Xu, Yue Wang, Yunxiang Cao, Zhengke He, Lianming Zhao, Ubong Jerome Etim, Peng Bai*, Zifeng Yan, Pingping Wu*. What is the effect of Sn and Mo oxides on gold catalysts for selective oxidation of benzyl alcohol? New Journal of Chemistry 2019, 43: 2591-2599.

[50] Houyu Zhu, Guixia Li1, Yongqing Gong, Xin Li, Xuefei Ding, Xiaoqing Lu*, Lianming Zhao, Yuhua Chi, Wenyue Guo*. Theoretical investigation on denitrifcation mechanism of piperidine: Efects of methylation versus protonation on C–N bond activation. Catalysis Letters 2019, https://doi.org/10.1007/s10562-019-02960-y.

[49] Tonghui Cai, Lianming Zhao, Haoyu Hu, Tongge Li, Xiaochen Li, Sheng Guo, Yanpeng Li, Qingzhong Xue, Wei Xing,* Zifeng Yan,* Lianzhou Wang. Stable CoSe2/carbon nanodice@reduced grapheme oxide composites for high-performance rechargeable aluminum-ion batteries. Energy & Environmental Science 2018, 11: 2341–2347.

[48] Houyu Zhu, Wenyue Guo,* Ming Li, Lianming Zhao, Shaoren Li, Yang Li, Xiaoqing Lu, Honghong Shan.* Density functional theory study of the adsorption and desulfurization of thiophene and its hydrogenated derivatives on Pt(111): Implication for the mechanism of hydrodesulfurization over noble metal catalysts. ACS Catalysis 2011, 1(11): 1498–1510.

[47] Fuling Liu, Yuwen Xu, Lianming Zhao, Liangliang Zhang, Wenyue Guo,* Rongming Wang, Daofeng Sun.* Porous barium–organic frameworks with highly ecient catalytic capacity and fluorescence sensing ability. Journal of Materials Chemistry A2015, 3: 21545–21552.

[46] Peng Bai,* Pingping Wu, Wei Xing, Daolan Liu, Lianming Zhao, Youhe Wang, Benjing Xu, Zifeng Yan, Xiu Song Zhao.*Synthesis and catalytic properties of ZSM-5 zeolite with hierarchical pores prepared in the presence of n-hexyltrimethylammonium bromide. Journal of Materials Chemistry A2015, 3: 18586–18597.

[45] Yong Dang, Wenyue Guo,* Lianming Zhao, Houyu Zhu. Porous carbon materials based on graphdiyne basis units by the incorporation of the functional groups and Li atoms for superior CO2 capture and sequestration. ACS Applied Material Interfaces 2017, 9: 30002−30013.

[44] Rongming Wang, Qingguo Meng, Liangliang Zhang, Haifeng Wang, Fangna Dai, Wenyue Guo,*Lianming Zhao, Daofeng Sun.* Investigation of the effect of pore size on gas uptake in two fsc metal-organic frameworks. Chemical Communications 2014, 50: 4911–4914.

[43] Yuxiang Liu, Lu Xu, Lianming Zhao, Ling Wei, Xinmei Liu,* Zifeng Yan. Substituting effect of Ce3+ on the AlPO-11 molecular sieve.Catalysis Science & Technology 2016, 6: 3821–3831.

[42] Yuhua Chi, Lianming Zhao, Xiaoqing Lu, Changhua An, Wenyue Guo,* Yunqi Liu,* Chi-Man Lawrence Wu. Effects of subnanometer silver clusters on photocatalyst AgBr(110) surface: a theoretical investigation. Catalysis Science & Technology 2015, 5: 4821–4829.

[41] Haichuan Liu, Yihua Hu, Shihe Yang,* Wenyue Guo,* Xiaoqing Lu, Lianming Zhao. Experimental and computational studies of intra-compex reactions in Mg+(primary, secondary alkylamine) induced by photoexcitation of Mg+. Chemistry - A European Journal 2005, 11(21): 6392–6406.

[40] Xuejin Li, Meiyi Xin, Sheng Guo, Tonghui Cai, Dongfeng Du, Wei Xing,* Lianming Zhao, Wenyue Guo, Qingzhong Xue, Zifeng Yan.* Ingight of synergistic effect of different active metal ions in layered double hydroxides on the capacitive performance. Electrochimica Acta 2017, https://doi.org/10.1016/j.electacta.2017.09.075.

[39] Feifei Guo, Wei Xing,* Jin Zhou, Lianming Zhao, Jingbin Zeng, Zhen Liu, Qingzhong Xue, Zifeng Yan.*Studies  in  the  capacitance  properties  of  diaminoalkane-intercalated graphene. Electrochimica Acta. 2014, 148: 220–227.

[38] 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).The Journal of Physical Chemistry C 2016, 120: 2300923023.

[37] Ming Li, Wenyue Guo,* Ruibin Jiang, Lianming Zhao, Xiaoqing Lu, Houyu Zhu, Dianling Fu, Honghong Shan.* Density functional study of ethanol decomposition on Rh(111). The Journal of Physical Chemistry C 2010, 114(49): 21493–21503.

[36] Ming Li, Wenyue Guo,* Ruibin Jiang, Lianming Zhao, Xiaoqing Lu, Houyu Zhu, Dianling Fu, Honghong Shan.* Mechanism of the ethylene conversion to ethylidyne on Rh(111): a density functional investigation. The Journal of Physical Chemistry C 2010, 114(18): 8440–8448.

[35] Ruibin Jiang, Wenyue Guo,* Ming Li, Houyu Zhu, Jing Li, Lianming Zhao, Dianling Fu, Honghong Shan.* Density functional study of the reaction of SO2 on Ir(111). The Journal of Physical Chemistry C2009, 113(42): 18223–18232.

[34] Houyu Zhu, Xiaoqing Lu,* Wenyue Guo,* Longfei Li, Lianming Zhao, Honghong Shan. Theoretical insight into the desulfurization of thiophene on Pt(110): a density functional investigation. Journal of Molecular Catalysis A: Chemical 2012, 363-364: 1825.

[33] Ruibin Jiang, Wenyue Guo,* Ming Li, Houyu Zhu, Lianming Zhao, Xiaqing Lu, Honghong Shan.*Methanol dehydrogenation on Rh(111): A density functional and microkinetic modeling study. Journal of Molecular Catalysis A: Chemical 2011, 344(1-2): 99–110.

[32] 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 Physics2017, 19: 1744917460.

[31] Zhigang Deng, Xiaoqing Lu,* Zengqiang Wen, Shuxian Wei, Yunjie Liu, Dianling Fu, Lianming Zhao, Wenyue Guo.* Mechanistic insight into the hydrazine decomposition on Rh(111): effect of reaction intermediate on catalytic activity.Physical Chemistry Chemical Physics 2013, 15: 16172–16182.

[30] Xiaoqing Lu,* Li Liu, Yang Li, Wenyue Guo,*Lianming Zhao, Honghong Shan. Theoretical analysis of the conversion mechanism of acetylene to ethylidyne on Pt(111). Physical Chemistry Chemical Physics 2012, 14: 5642–5650.

[29] Wen Jiang, Changhua An,* Junxue Liu, Shutao Wang, Lianming Zhao, Wenyue Guo,* Jinxiang Liu. Facile aqueous synthesis of beta-AgI nanoplates as efficient visible-light-responsive photocatalyst.Dalton Transactions 2014, 43: 300–305.

[28] Wenyue Guo,* Ming Li, Xiaoqing Lu, Houyu Zhu, Yang Li, Shaoren Li, Lianming Zhao. Ethanol decomposition on a Pd(110) surface: a density functional theory investigation.Dalton Transactions 2013, 42: 23092318.

[27] Houyu Zhu, Wenyue Guo,* Ruibin Jiang, Lianming Zhao, Xiaoqing Lu, Ming Li, Dianling Fu, Honghong Shan.* Decomposition of methanthiol on Pt(111): a density functional investigation. Langmuir 2010, 26(14): 12017–12025.

[26] Ming Li, Wenyue Guo,* Ruibin Jiang, Lianming Zhao, and Honghong Shan.* Decomposition of ethanol on Pd(111): a density functional theory study. Langmuir 2010, 26(3): 1879–1888.

[25] Yang Li, Wenyue Guo,* Houyu Zhu, Lianming Zhao, Ming Li, Shaoren Li, Dianling Fu, Xiaoqing Lu, Honghong Shan.* Initial hydrogenations of pyridine on MoP(001): a density functional study. Langmuir 2012, 28 (6): 3129–3137.

[24] Yong Dang, Lianming Zhao, Xiaoqing Lu, Jing Xu, Pengpeng Sang, Sheng Guo, Houyu Zhu, Wenyue Guo.Molecular simulation of CO2/CH4 adsorption in brown coal: Effect of oxygen-, nitrogen-, and sulfur-containing functional groups. Applied Surface Science2017, 423: 33–42.

[23] Yuhua Chi,Lianming Zhao, Xue Li, Houyu Zhu, Wenyue Guo.First principles study of the Ag nanoclusters adsorption effect on the photocatalytic properties of AgBr(110) surface. Applied Surface Science2018, 440: 907–915.

[22] Yuhua Chi, Lianming Zhao, Xiaoqing Lu, Wenyue Guo,* Yunqi Liu,* Chi-Man Lawrence Wu. Eects of atomic Ag on AgBr photocatalyst surfaces: a theoretical survey. RSC Advances 2014, 4: 33134–33143.

[21] Juan Chen, Liangyuan Jia, Lianming Zhao, Xiaoqing Lu, Wenyue Guo,* Junjie Weng, Fei Qi.* Analysis of petroleum aromatics by laser-induced acoustic desorption/tunable synchrotron vacuum ultraviolet photoionization mass spectrometry. Energy & Fuels 2013, 27: 2010−2017.

[20] Fengyun Zhang, Wenyue Guo,*Lianming Zhao, Xianqing Lin, Lizhen Zhang, Houyu Zhu, Honghong Shan.*Theoretical survey of the potential energy surface of Ti+ + methanol reaction. The Journal of Physical Chemistry A 2009, 113(25): 7103–7111.

[19] Xiaoqing Lu, Wenyue Guo,* Tianfang Yang, Lianming Zhao, Senchang Du, Ling Wang, Honghong Shan.* Gas-phase reactions of Co+ with ethylamine: a theoretical approach to the reaction mechanisms of transition metal ions with primary amines. The Journal of Physical Chemistry A 2008, 112(23): 5312–5321.

[18] Yan Ma, Wenyue Guo,*Lianming Zhao, Songqing Hu, Jun Zhang, Qingtao Fu, Xiangfeng Chen. Theoretical survey of the gas-phase reactions of allylamine with Co+. The Journal of Physical Chemistry A2007, 111(28): 6208–6216.

[17] Xiangfeng Chen, Wenyue Guo,*Lianming Zhao, Qingtao Fu, Yan Ma. Reaction of acetaldehyde with Ni+: An extended theoretical study of the decarbonylation mechanism of acetaldehyde by first-row transition metal ions. The Journal of Physical Chemistry A 2007, 111(18): 35663570.

[16] Yahui Guo, Xiaoqing Lu, Guixia Li, Lianming Zhao, Shuxian Wei, Wenyue Guo.* Theoretical design of push-pull porphyrin dyes with p-bridge modification for dye-sensitized solar cells. Journal of Photochemistry and Photobiology A: Chemistry 2017, 332: 232–240.

[15] Yuhua Chi, Lianming Zhao, Xiaoqing Lu, Changhua An, Wenyue Guo,* Chi-Man Lawrence Wu. Effect of alloying on the stabilities and catalytic properties of Ag–Au bimetallic subnanoclusters: a theoretical investigation. Journal of Materials Science2016, 51:5046–5060.

[14] Xiaoqing Lu,* Mingmin Zhang, Dongliang Jin,Yong Dang, Sainan Zhou, Shuxian Wei, Houyu Zhu, Lianming Zhao. Competitive adsorption of CO2/CH4 in porous boron nitride nanomaterials. Materials Letters 2015, 161: 545–548.

[13] Chengcheng Miao, Guangwu Yang,* Zhongheng Bu, Xiaoqing Lu, Lianming Zhao, Wenyue Guo, Qingzhong Xue. Preparation of large diameter and low density ZnS microtube arrays via a sacrificial template method.Materials Letters 2014, 115: 140–143.

[12] Xiaoqing Lu, Ka-Shing Chau, Shuxian Wei, Zhigang Deng, Ning Ding, Lianming Zhao, Chi-Man Lawrence Wu,* Wenyue Guo.* Theoretical insight into the spectral characteristics of Fe(II)-based complexes for dye-sensitized solar cells: functionalized bipyridyl chromophores. Journal of Organometallic Chemistry2013, 741-742: 168–175.

[11] Shaoren Li, 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. Journal of Organometallic Chemistry2012, 704: 38–48.

[10] Xiaoqing Lu, Shuxian Wei, Chi-Man Lawrence Wu,* Wenyue Guo,* Lianming Zhao. Theoretical characterization of ruthenium complexes containing functionalized bithiophene ligands for dye-sensitized solar cells. Journal of Organometallic Chemistry 2011, 696: 1632–1639.

[9] Xiaoqing Lu, Wenyue Guo,*Lianming Zhao, Xiangfeng Chen, Qingtao Fu, Yan Ma. Hydride abstraction of methylamine with Cu+(1S) in the gas phase: a density functional theory study. Journal of Organometallic Chemistry 2007, 692(17): 37963803.

[8] Yuhua Chi, Lianming Zhao, Xiaoqing Lu, Changhua An, Wenyue Guo,* Chi-Man Lawrence Wu. Effect of alloying on the stabilities and catalytic properties of Pt–Au bimetallic subnanoclusters: a theoretical investigation. Journal of Nanoparticle Research 2016, 18: 78.

[7] Xiangfeng Chen, Wenyue Guo,*Lianming Zhao, Qingtao Fu. Theoretical survey of the potential energy surface of Ni+ + acetone reaction. Chemical Physics Letters2006, 432(1-3): 2732.

[6] Liangyuan Jia, Junjie Weng, Zhongyue Zhou, Fei Qi,* Wenyue Guo, Lianming Zhao, Juan Chen. Note: Laser-induced acoustic desorption/synchrotron vacuum ultraviolet photoionization mass spectrometry for analysis of fragile compounds and heavy oils. Review of Scientific Instruments 2012, 83(2): 026105.

[5] ShuxianWei, Xiaoqing Lu,* Xiaofan Shi, Zhigang Deng, Yang Shao, Lianming Zhao, Wenyue Guo,* Chi-Man Lawrence Wu. Theoretical insight into organic dyes incorporating triphenylamine-based donors and binary -conjugated bridges for dye-sensitized solar cells. International Journal of Photoenergy 2014, http://dx.doi.org/10.1155/2014/280196.

[4] Xiaoqing Lu, Shuxian Wei, Chi-Man Lawrence Wu,* Ning Ding, Shaoren Li, Lianming Zhao, Wenyue Guo. Theoretical insight into the spectral characteristics of Fe(II)-based complexes for dye-sensitized solar cells. part I: polypyridyl ancillary ligands. International Journal of Photoenergy 2011, doi:10.1155/2011/316952.

[3] Qingtao Fu,* Tingting He, Wenyue Guo, Lianming Zhao, Yongming Chai, Tongna Zhou, Yunqi Liu, Chenguang Liu. Theoretical study of substituent effect on acridine as one model molecule of asphaltene. Journal of Molecular Structure: THEOCHEM 2009, 906(1-3): 6–10.

[2] Wenyue Guo,* Tao Yuan, Xiangfeng Chen, Lianming Zhao, Xiaoqing Lu, Shujuan Wu. Theoretical investigation of C-H activation in Mg+-CH3X (X = H, NH2 and CHO). Journal of Molecular Structure: THEOCHEM 2006, 764(1-3): 177186.

[1] Guixia Li, Houyu Zhu, Lianming Zhao, Wenyue Guo,* Xiaoqing Lu, Huifang Ma, Yanchen Yu. Mechanistic insight into H2S adsorption and dissociation on MoP(010): a density functional investigation. Advanced Materials Research2017, 1142(1662-8985): 300–305.

u 专利

授权国家发明专利4项:

1赵联明、刘海军、徐静、李静、朱侯禹、匙玉华,2020.11.06,一种定量分析金属嵌入碳纳米管催化剂析氢活性的方法,中国,ZL201810459006.3

2赵联明、徐静、王海峰、徐文彬、丁秋月、郭文跃,一种定量分析沸石咪唑酯骨架材料路易斯酸性的方法,2019.06.19,中国,ZL201410440221.0

3赵联明、徐文彬、桑鹏鹏、丁秋月、何小丽、徐静、郭文跃,一种定量分析金属卟啉MOFs材料CO2/CH4分离效率的方法,2017.12.01,中国,ZL201510237145.8

4)徐静、刘海军、李静、赵联明、邢伟、朱侯禹,2020.08.25,一种矿物酸插层氧化石墨烯CO2吸附材料的制备方法,中国,ZL201810234350.2