◎研究方向 石油化工、能源化工、氢能与燃料电池、基于人工智能技术的材料设计 ◎教育经历 2008.09-2012.06，kaiyun体育登录网页入口（华东），材料学，博士 2006.09-2008.06，kaiyun体育登录网页入口（华东），理论物理硕士研究生（直攻博） 2000.09-2004.06，kaiyun体育登录网页入口（华东），环境工程，学士 ◎工作经历 2022.01-至今，kaiyun体育登录网页入口（华东），副教授 2015.01-2021.12，kaiyun体育登录网页入口（华东），讲师 2012.11-2014.10，美国圣母大学，博士后 ◎学术兼职 Nanomaterials期刊客座编辑，中国化工学会会员，中国化学会会员，担任Carbon、Journal of Materials Chemistry A、Applied Surface Science、Journal of Physical Chemistry、Journal of Physics and Chemistry of Solids、Materials Chemistry and Physics等国际期刊审稿人。 ◎主讲课程 本科生：《计算材料学》、《催化材料设计基础》、《材料基因工程概论》、《能源材料设计与合成实验》、《学科前沿知识专题讲座》 研究生：《材料基因综合设计实验》 ◎指导研究生及博士后 累积指导/协助指导博士研究生2名，硕士研究生15名；团队已毕业研究生主要进入高校和科研院从事教学科研工作，部分进入国内外名校攻读博士学位，部分进入电子、计算机或新能源行业进行研发工作。 ◎承担项目 石油化工催化材料与反应工程国家重点实验室研究开发开放课题1项 2023.03-2025.03，DFT模拟蒽醌加氢催化剂活性相结构及加氢机理（项目编号2350178554），主持，在研。 国家自然科学基金面上项目2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21776315），参与（本人位次2/10），已结题。 2018.01-2021.12，含骨架杂原子有序多级孔沸石分子筛的定向设计合成、活性结构调控及其催化作用机制研究（项目编号21776311），参与（本人位次3/10），已结题。 中石油创新基金1项 2017.09-2019.09，新型汽柴油脱硫催化剂材料的密度泛函理论研究（项目编号2017D-5007-0402），主持，已结题。 山东省自然科学基金1项 2016.12-2018.11，基于密度泛函理论的Pt/Al2O3催化剂脱硫活性位研究（项目编号ZR2016BL12），主持，已结题。 青岛自主创新计划1项 2016.09-2018.09，深度洁净汽柴油用新型脱硫催化剂材料的理论设计研究（项目编号16-5-1-88-jch），主持，已结题。 ◎论文（仅列举第一/通讯作者论文） [20] Rui Li, Houyu Zhu*, Dongyuan Liu, Ping He, Yucheng Fan, Wen Zhao*, Xiaoqing Lu, Yuhua Chi, Hao Ren, Yuan Pan, Yunqi Liu, Wenyue Guo*, Density Functional Theory Study of S-Edge Structures, Thiophene Adsorption, and Hydrodesulfurization Mechanisms on Triangular MoS2 Nanoclusters[J]. Catalysis Letters, (2023) https://doi.org/10.1007/s10562-023-04420-0. [19] Hou-Yu Zhu*, Nai-You Shi, Dong-Yuan Liu, Rui Li, Jing-Gang Yu, Qi-Tang Ma, Tu-Ya Li, Hao Ren, Yuan Pan, Yun-Qi Liu*, Wen-Yue Guo*, New insights into the mechanism of reactive adsorption desulfurization on Ni/ZnO catalysts: Theoretical evidence showing the existence of interfacial sulfur transfer pathway and the essential role of hydrogen[J]. Petroleum Science, (2023) https://doi.org/10.1016/j.petsci.2023.05.014. [18] Qitang Ma, Houyu Zhu*, Dongyuan Liu, Rui Li, Tuya Li, Hao Ren, Wen Zhao, Yuan Pan, Yunqi Liu, Wenyue Guo*, Identifying magic-number structures of supported sub-nano Ni clusters and the influence of hydrogen coverage: a density functional theory based particle swarm optimization investigation[J]. Catalysis Science & Technology, 13 (2023) 2080.（共一） [17] Min Li, Houyu Zhu, Qing Yuan, Tuya Li, Minmin Wang, Peng Zhang, Yilin Zhao, Donglin Qin, Wenyue Guo, Bin Liu, Xuan Yang, Yunqi Liu, and Yuan Pan*, Proximity Electronic Effect of Ni/Co Diatomic Sites for Synergistic Promotion of Electrocatalytic Oxygen Reduction and Hydrogen Evolution[J]. Advanced Functional Materials, (2022), 2210867.（共一） [16] 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[J]. Molecular Catalysis, 519 (2022) 112148.（共一） [15] Minmin Wang, Min Li, Yilin Zhao, Naiyou Shi, Hui Zhang, Yuxue Zhao, Yaru Zhang, Haoran Zhang, Wenhong Wang, Kaian Sun, Yuan Pan*, Shoujie Liu*, Houyu Zhu*, Wenyue Guo, Yanpeng Li, Yunqi Liu*, Chenguang Liu, Construction of N-doped carbon frames anchored with Co single atoms and Co nanoparticles as robust electrocatalyst for hydrogen evolution in the entire pH range[J]. Journal of Energy Chemistry, 67 (2022) 147. [14] Min Li, Minmin Wang, Dongyuan Liu, Yuan Pan*, Shoujie Liu, Kaian Sun, Yanju Chen, Houyu Zhu*, Wenyue Guo, Yanpeng Li, Zhiming Cui, Bin Liu, Yunqi Liu, Chenguang Liu, Atomically dispersed NiN4-Cl active site with axial Ni-Cl coordination for accelerating electrocatalytic hydrogen evolution[J]. Journal of Materials Chemistry A, 10 (2022) 6007. [13] 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[J]. Applied Surface Science, 576 (2022) 151803.（共一） [12] 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[J]. Catalysis Science & Technology, 11 (2021) 1615. [11] Xuefei Ding, Houyu Zhu*, Hao Ren, Dongyuan Liu, Zehua Yu, Naiyou Shi, Wenyue Guo*, Adsorption and dehydrogenation of C2–C6n-alkanes over a Pt catalyst: a theoretical study on the size effects of alkane molecules and Pt substrates[J]. Physical Chemistry Chemical Physics, 22 (2020) 21835.（共一） [10] 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[J]. 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[J]. Journal of Physical Chemistry C, 124 (2020) 446. [8] Houyu Zhu, Guixia Li, Yongqing Gong, Xin Li, Xuefei Ding, Xiaoqing Lu*, Lianming Zhao, Yuhua Chi, Wenyue Guo*, Theoretical investigation on denitrifcation mechanism of piperidine: Effects of methylation versus protonation on C–N bond activation[J]. Catalysis Letters, 150 (2020) 631. [7] Tian Zhang, Houyu Zhu, Chen Guo, Shoufu Cao, Chi-Man Lawrence Wu*, Zhaojie Wang, Xiaoqing Lu*, Theoretical investigation on the hydrogen evolution reaction mechanism at MoS2 heterostructures: the essential role of the 1T/2H phase interface[J]. Catalysis Science & Technology, 10 (2020) 458.（共一） [6] 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[J]. Physical Chemistry Chemical Physics, 19 (2017) 17449. [5] 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) [J]. Journal of Physical Chemistry C, 120 (2016) 23009. [4] Xiaoqing Lu*, Weili Wang, Zhigang Deng, Houyu Zhu*, Shuxian Wei, Siu-Pang Ng, Wenyue Guo*, Chi-Man Lawrencd Wu. Methanol Oxidation on Ru(0001) for Direct Methanol Fuel Cell: Analysis of Competitive Reaction Mechanism[J]. RSC Advances, 6 (2016) 1729. [3] 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[J]. Journal of Molecular Catalysis A-Chemical, 363-364 (2012) 18. [2] Houyu Zhu, Wenyue Guo*, Ming Li, LianMing Zhao, Shaoren Li, Yang Li, Xaioqing 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[J]. ACS Catalysis, 1 (2011) 1498. [1] Houyu Zhu, Wenyue Guo*, Ruibin Jiang, Lianming Zhao, Ming Li, Dianling Fu, Honghong Shan*. Decomposition of Methanthiol on Pt(111): A Density Functional Investigation[J]. Langmuir, 26 (2010) 12017. ◎专利 [1] 朱后禹、侯永春、张恒驰、刘东源、丁雪飞、孟国栋、于泽华、郭文跃，一种研究氢气在钐钆掺杂二氧化铈表面氧化反应的方法，2022.11.15，专利号：ZL 2019 1 0072398.2 ◎奖励荣誉 [1] 2021-2022学年“十佳百优”班主任评选活动中被评为“优秀班主任” ◎学术报告 [1] 中国化学会第21届全国催化学术会议，2023年7月23日，报告题目：基于密度泛函理论和粒子群优化方法研究亚纳米金属团簇幻数结构 |
