Search Results - "Hu, P."

Quantitative Determination of C–C Coupling Mechanisms and Detailed Analyses on the Activity and Selectivity for Fischer–Tropsch Synthesis on Co(0001): Microkinetic Modeling with Coverage Effects by Yao, Zihao, Guo, Chenxi, Mao, Yu, Hu, P

“…The Fischer–Tropsch synthesis plays a significant role in re-forming natural resources to meet global demand for commodities, while there is ongoing oil…”
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Quantitative Studies of the Key Aspects in Selective Acetylene Hydrogenation on Pd(111) by Microkinetic Modeling with Coverage Effects and Molecular Dynamics by Xie, Wenbo, Xu, Jiayan, Ding, Yunxuan, Hu, P

“…Selective acetylene hydrogenation as a vital industrial reaction has been studied for decades. However, some key issues remain elusive. Herein, a detailed…”
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Ordered Porous Nitrogen‐Doped Carbon Matrix with Atomically Dispersed Cobalt Sites as an Efficient Catalyst for Dehydrogenation and Transfer Hydrogenation of N‐Heterocycles by Han, Yunhu, Wang, Ziyun, Xu, Ruirui, Zhang, Wei, Chen, Wenxing, Zheng, Lirong, Zhang, Jian, Luo, Jun, Wu, Konglin, Zhu, Youqi, Chen, Chen, Peng, Qing, Liu, Qiang, Hu, P., Wang, Dingsheng, Li, Yadong

“…Single‐atom catalysts (SACs) have been explored widely as potential substitutes for homogeneous catalysts. Isolated cobalt single‐atom sites were stabilized on…”
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Synergistic promotions between CO2 capture and in-situ conversion on Ni-CaO composite catalyst by Shao, Bin, Wang, Zhi-Qiang, Gong, Xue-Qing, Liu, Honglai, Qian, Feng, Hu, P., Hu, Jun

“…The integrated CO 2 capture and conversion (iCCC) technology has been booming as a promising cost-effective approach for Carbon Neutrality. However, the lack…”
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Identifying the Role of Photogenerated Holes in Photocatalytic Methanol Dissociation on Rutile TiO2(110) by Zhang, Jiawei, Peng, Chao, Wang, Haifeng, Hu, P

“…As an important model reaction, photocatalytic methanol dissociation on rutile TiO2(110) has drawn much attention, but its reaction mechanism remains elusive…”
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Achieving Theory–Experiment Parity for Activity and Selectivity in Heterogeneous Catalysis Using Microkinetic Modeling by Xie, Wenbo, Xu, Jiayan, Chen, Jianfu, Wang, Haifeng, Hu, P

“…Conspectus Microkinetic modeling based on density functional theory (DFT) energies plays an essential role in heterogeneous catalysis because it reveals the…”
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Highly Ethylene‐Selective Electrocatalytic CO2 Reduction Enabled by Isolated Cu−S Motifs in Metal–Organic Framework Based Precatalysts by Wen, Chun Fang, Zhou, Min, Liu, Peng Fei, Liu, Yuanwei, Wu, Xuefeng, Mao, Fangxin, Dai, Sheng, Xu, Beibei, Wang, Xue Lu, Jiang, Zheng, Hu, P., Yang, Shuang, Wang, Hai Feng, Yang, Hua Gui

“…Copper‐based materials are efficient electrocatalysts for the conversion of CO2 to C2+ products, and most these materials are reconstructed in situ to…”
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Topology-Determined Structural Genes Enable Data-Driven Discovery and Intelligent Design of Potential Metal Oxides for Inert C–H Bond Activation by Zhou, Chuan, Chen, Chen, Hu, P., Wang, Haifeng

“…The identification of appropriate structural genes that influence the active-site configuration for a given reaction is critical for discovering potential…”
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Influence of surface structures, subsurface carbon and hydrogen, and surface alloying on the activity and selectivity of acetylene hydrogenation on Pd surfaces: A density functional theory study by Yang, Bo, Burch, Robbie, Hardacre, Christopher, Headdock, Gareth, Hu, P.

“…The selective hydrogenation of acetylene to ethylene on several Pd surfaces and Pd surfaces with subsurface carbon and hydrogen as well as a number of Pd based…”
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Origin of Efficient Catalytic Combustion of Methane over Co3O4(110): Active Low-Coordination Lattice Oxygen and Cooperation of Multiple Active Sites by Hu, Wende, Lan, Jinggang, Guo, Yun, Cao, Xiao-Ming, Hu, P

“…A complete catalytic cycle for methane combustion on the Co3O4(110) surface was investigated and compared with that on the Co3O4(100) surface on the basis of…”
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Oxygen reduction reaction mechanism on nitrogen-doped graphene: A density functional theory study by Yu, Liang, Pan, Xiulian, Cao, Xiaoming, Hu, P., Bao, Xinhe

“…The electrocatalytic reduction of oxygen on nitrogen-doped graphene in alkaline solution follows an associative mechanism which is energetically more favorable…”
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Local atomic structure modulations activate metal oxide as electrocatalyst for hydrogen evolution in acidic water by Li, Yu Hang, Liu, Peng Fei, Pan, Lin Feng, Wang, Hai Feng, Yang, Zhen Zhong, Zheng, Li Rong, Hu, P., Zhao, Hui Jun, Gu, Lin, Yang, Hua Gui

“…Modifications of local structure at atomic level could precisely and effectively tune the capacity of materials, enabling enhancement in the catalytic…”
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Activity and coke formation of nickel and nickel carbide in dry reforming: A deactivation scheme from density functional theory by Wang, Ziyun, Cao, X.-M., Zhu, Jinghao, Hu, P.

“…•Density functional theory and microkinetic modelling are used to quantitatively determine the activities of flat and stepped surfaces of both nickel and…”
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Gastrointestinal: A case of splenic sarcoidosis characterized by weight loss by Fan, D, Hu, P, Liu, L

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First-Principles Insight into the Degradation Mechanism of CH3NH3PbI3 Perovskite: Light-Induced Defect Formation and Water Dissociation by Peng, Chao, Chen, Jianfu, Wang, Haifeng, Hu, P

“…The organic/inorganic hybrid CH3NH3PbI3 perovskite shows promising features in light harvesters, but its instability under humid environment seriously…”
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Theory of the Kinetics of Chemical Potentials in Heterogeneous Catalysis by Cheng, Jun, Hu, P.

“…Simple and powerful: The reaction kinetics at surfaces of heterogeneous catalysts is reformulated in terms of the involved chemical potentials. Based on this…”
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Understanding complete oxidation of methane on spinel oxides at a molecular level by Tao, Franklin Feng, Shan, Jun-jun, Nguyen, Luan, Wang, Ziyun, Zhang, Shiran, Zhang, Li, Wu, Zili, Huang, Weixin, Zeng, Shibi, Hu, P.

“…It is crucial to develop a catalyst made of earth-abundant elements highly active for a complete oxidation of methane at a relatively low temperature. NiCo 2 O…”
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Identification of the active sites and mechanism for partial methane oxidation to methanol over copper-exchanged CHA zeolites by Mao, Yu, Hu, P.

“…To make methane a suitable energy carrier and transport less costly, it is an urgent and challenging task for us to convert methane to liquid under mild…”
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EP34.02: The role of levator avulsion in development of female stress urinary incontinence by Hu, P., Zhong, C.

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A Low-Profile High-Gain and Wideband Filtering Antenna With Metasurface by Pan, Y. M., Hu, P. F., Zhang, X. Y., Zheng, S. Y.

“…A low-profile, high-gain, and wideband metasurface (MS)-based filtering antenna with high selectivity is investigated in this communication. The planar MS…”
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