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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.
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[J]. Journal of Energy Chemistry, 67 (2022) 147.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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