师资队伍

朱后禹（副教授）

作者：审核：发布者：张秀良发布时间：2018-12-12浏览次数：6425

»姓名：朱后禹	»系属：材料物理系
»学位：博士	»职称：副教授
»专业：材料学	»导师类别：硕导
»电子邮箱：hyzhu@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，新黄金城667733（华东），材料学，博士 2006.09-2008.06，新黄金城667733（华东），理论物理硕士研究生（直攻博） 2000.09-2004.06，新黄金城667733（华东），环境工程，学士 ◎工作经历 2022.01-至今，新黄金城667733（华东），副教授 2015.01-2021.12，新黄金城667733（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、Applied Surface Science、Chemical Engineering Science、International Journal of Hydrogen Energy、Journal of Materials Chemistry A、Journal of Physical Chemistry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，部分进入石油石化、新能源或计算机行业进行研发工作。 ◎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） [25] Peng Zhang, Hsiao-Chien Chen, Houyu Zhu, Kuo Chen, Tuya Li, Yilin Zhao, Jiaye Li, Ruanbo Hu, Siying Huang, Wei Zhu, Yunqi Liu* and Yuan Pan, Inter-site structural heterogeneity induction of single atom Fe catalysts for robust oxygen reduction, Nature Communications, 2024, Accepted.（共一） [24] Guangxun Sun, Dongyuan Liu, Hongfu Shi, Junxi Li, Lingqing Yang, Fengyu Tian, Yuchen Cui, Chunlin Wang, Feiyang Li, Ting Zhao, Houyu Zhu, Bin Liu, Yongming Chai, Yunqi Liu, and Yuan Pan, Oxygen-Vacancy-Induced Built-In Electric Field across MoCo Dual-Atomic Site Catalyst for Promoting Hydrogen Spillover in Hydrocracking and Hydrodesulfurization. ACS Catalysis, 14 (2024) 3208. [23] Da Yang, Shu Tao, Houyu Zhu, Zhidong Wang, Wenwen Gao, Jinggang Yu, Minmin Wang, Guangxun Sun, Junxi Li, Hsiao-Chien Chen, Bin Liu, Yongming Chai, Yuan Pan, Construction of Rh-N₄ single atoms and Rh clusters dual-active sites for synergistic heterogeneous hydroformylation of olefins with ultra-high turnover frequency. Chemical Engineering Journal, 479 (2024) 147505.（共一） [22] Dongyuan Liu, Houyu Zhu, Xiaoxiao Gong, Saifei Yuan, Hao Ma, Ping He, Yucheng Fan, Wen Zhao, Hao Ren, Wenyue Guo, Understanding and controlling the formation of single-atom site from supported Cu₁₀ cluster by tuning CeO₂ reducibility: Theoretical insight into the Gd-doping effect on electronic metal-support interaction. Journal of Colloid and Interface Science, 661 (2024) 720. [21] Ping He, Houyu Zhu, Qianyao Sun, Ming Li, Dongyuan Liu, Rui Li, Xiaoqing Lu, Wen Zhao, Yuhua Chi, Hao Ren and Wenyue Guo, Density Functional Theory Study of Methanol Steam Reforming on Pt₃Sn(111) and the Promotion Effect of a Surface Hydroxy Group. Nanomaterials, 14 (2024) 318. [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. 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. Petroleum Science, 20 (2023) 3240. [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. 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. 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. 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. 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. 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, 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. 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. 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. 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, 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. 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. 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. 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). 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. 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. 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. 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. 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” ◎邀请报告 [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 [2]重质油全国重点实验室学术交流年会，2023年10月29日，报告题目：反应吸附脱硫Ni/ZnO催化剂界面S转移机理及H₂关键作用的理论证据

»Name: Houyu Zhu	»Department:Material Physics
»Degree: Doctor	»Title: Assoc. Prof.
»Major: Materials Science	»Tutor category: Master
»E-mail: hyzhu@upc.edu.cn
»Website: http://tsd.mse.upc.edu.cn/
»Address: No. 66, West Changjiang Road, Huangdao District, Qingdao, China
»Academic CV
◎Main research areas Computational catalysis; Petrochemical catalysts; Fuel cell ◎Education 2006.09-2012.06 China University of Petroleum (East China),Materials Science, Doctor, Prof. Wenyue Guo 2000.09-2004.06 China University of Petroleum (East China),Environment Engineering, Bachelor, Prof. Chaocheng Zhao ◎Work experience 2022.01-now China University of Petroleum (East China), Associate professor 2015.01-2021.12 China University of Petroleum (East China), Lecturer 2012.11-2014.10 University of Notre Dame, Postdoctor, Prof. William Schneider ◎Concurrent academic posts Guest Editor of the Nanomaterials; Members of the Chinese Chemical Society and the Chemical Industry and Engineering Society of China; Referees of Applied Surface Science, Chemical Engineering Science, International Journal of Hydrogen Energy, Carbon, Journal of Materials Chemistry A, Journal of Physical Chemistry, etc. ◎Led research projects 2023.03-2025.03 SINOPEC Research Institute of Petroleum Processing Co., Ltd., State Key Laboratory of Molecular & Process Engineering, “DFT investigation of the active phase structure and reaction mechanism of anthraquinone hydrogenation catalyst”, ¥200,000. 2018.01-2021.12 National Natural Science Foundation of China, “Theoretical investigation of some fundamental issues of the reactive adsorption desulfurization (RADS) catalyst Ni/ZnO”, ¥670,000. 2019.01-2021.12 Ministry of Education of the PRC, Fundamental Research Funds for the Central Universities, “Density functional theory study on desulfurization mechanism of zinc oxide supported nickel catalyst”, ¥130,000. 2017.09-2019.09 China National Petroleum Co., Ltd., PetroChina Innovation Foundation, “Density functional theory study on novel desulfurization catalysts for gasoline and diesel oil”, ¥179,000. 2016.12-2018.11 Natural Science Foundation of Shandong Province, “Density functional theory study on desulfurization active sites of Pt/Al₂O₃ catalysts”, ¥50,000. 2016.09-2018.09 Qingdao Science and Technology Bureau, Qingdao independent innovation program, “Theoretical design of new desulfurization catalyst materials for deep clean gasoline and diesel oil”, ¥100,000. ◎*Representative papers (First author/Corresponding author) [25] Peng Zhang, Hsiao-Chien Chen, Houyu Zhu (co-first author*), Kuo Chen, Tuya Li, Yilin Zhao, Jiaye Li, Ruanbo Hu, Siying Huang, Wei Zhu, Yunqi Liu and Yuan Pan, Inter-site structural heterogeneity induction of single atom Fe catalysts for robust oxygen reduction, Nature Communications, 2024, Accepted. [24] Guangxun Sun, Dongyuan Liu, Hongfu Shi, Junxi Li, Lingqing Yang, Fengyu Tian, Yuchen Cui, Chunlin Wang, Feiyang Li, Ting Zhao, Houyu Zhu, Bin Liu, Yongming Chai, Yunqi Liu, and Yuan Pan, Oxygen-Vacancy-Induced Built-In Electric Field across MoCo Dual-Atomic Site Catalyst for Promoting Hydrogen Spillover in Hydrocracking and Hydrodesulfurization. ACS Catalysis, 14 (2024) 3208. [23] Da Yang, Shu Tao, Houyu Zhu (co-first author), Zhidong Wang, Wenwen Gao, Jinggang Yu, Minmin Wang, Guangxun Sun, Junxi Li, Hsiao-Chien Chen, Bin Liu, Yongming Chai, Yuan Pan, Construction of Rh-N₄ single atoms and Rh clusters dual-active sites for synergistic heterogeneous hydroformylation of olefins with ultra-high turnover frequency. Chemical Engineering Journal, 479 (2024) 147505. [22] Dongyuan Liu, Houyu Zhu, Xiaoxiao Gong, Saifei Yuan, Hao Ma, Ping He, Yucheng Fan, Wen Zhao, Hao Ren, Wenyue Guo, Understanding and controlling the formation of single-atom site from supported Cu₁₀ cluster by tuning CeO₂ reducibility: Theoretical insight into the Gd-doping effect on electronic metal-support interaction. Journal of Colloid and Interface Science, 661 (2024) 720. [21] Ping He, Houyu Zhu, Qianyao Sun, Ming Li, Dongyuan Liu, Rui Li, Xiaoqing Lu, Wen Zhao, Yuhua Chi, Hao Ren and Wenyue Guo, Density Functional Theory Study of Methanol Steam Reforming on Pt₃Sn(111) and the Promotion Effect of a Surface Hydroxy Group. Nanomaterials, 14 (2024) 318. [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. 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. Petroleum Science, 20 (2023) 3240. [18] Qitang Ma, Houyu Zhu* (co-first author), 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. Catalysis Science & Technology, 13 (2023) 2080. [17] Min Li, Houyu Zhu* (co-first author), 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. Advanced Functional Materials, (2022), 2210867. [16] Tuya Li, Houyu Zhu (co-first author), 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. [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. 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. Journal of Materials Chemistry A, 10 (2022) 6007. [13] Dongyuan Liu, Houyu Zhu (co-first author), 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. [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. Catalysis Science & Technology, 11 (2021) 1615. [11] Xuefei Ding, Houyu Zhu (co-first author), 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. Physical Chemistry Chemical Physics, 22 (2020) 21835. [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. 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, 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. Catalysis Letters, 150 (2020) 631. [7] Tian Zhang, Houyu Zhu* (co-first author), 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. Catalysis Science & Technology, 10 (2020) 458. [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. 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). 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. 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. 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. 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. Langmuir, 26 (2010*) 12017. ◎Invited presentation [1]The 21st National Conference on Catalysis, Chinese Chemical Society.Jul 23^th, 2023. Presentation title: Identifying magic-number structures of supported sub-nano Ni clusters: a density functional theory based particle swarm optimization investigation. [2] Academic Exchange Conference of State Key Laboratory of Heavy Oil Processing. Oct 23^th, 2023. Presentation title: The interfacial sulfur transfer mechanism of reactive adsorption desulfurization Ni/ZnO catalysts and the essential role of hydrogen.