Search Results - "Pan, Zhi"

Deciphering and Suppressing Over‐Oxidized Nitrogen in Nickel‐Catalyzed Urea Electrolysis by Li, Jianan, Li, Jili, Liu, Tao, Chen, Lin, Li, Yefei, Wang, Hualin, Chen, Xiurong, Gong, Ming, Liu, Zhi‐Pan, Yang, Xuejing

“…Urea electrolysis is a prospective technology for simultaneous H2 production and nitrogen suppression in the process of water being used for energy production…”
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Zeolite-confined subnanometric PtSn mimicking mortise-and-tenon joinery for catalytic propane dehydrogenation by Ma, Sicong, Liu, Zhi-Pan

“…Heterogeneous catalysts are often composite materials synthesized via several steps of chemical transformation, and thus the atomic structure in composite is a…”
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Machine Learning for Atomic Simulation and Activity Prediction in Heterogeneous Catalysis: Current Status and Future by Ma, Sicong, Liu, Zhi-Pan

“…Heterogeneous catalysis, for its industrial importance and great complexity in structure, has long been the testing ground of new characterization techniques…”
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Flexible strain sensors fabricated using carbon-based nanomaterials: A review by Yan, Tao, Wang, Zhe, Pan, Zhi-Juan

“…•Current development of flexible strain sensors based on carbon nanomaterials was presented.•The assembly structures of carbon-based nanomaterials in polymers…”
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Glucose to 5‑Hydroxymethylfurfural: Origin of Site-Selectivity Resolved by Machine Learning Based Reaction Sampling by Kang, Pei-Lin, Shang, Cheng, Liu, Zhi-Pan

“…Glucose pyrolysis, a model system in biomass utilization, is renowned for its great complexity, deep in reaction network hierarchy and rich in reaction…”
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Stochastic Surface Walking Method for Structure Prediction and Pathway Searching by Shang, Cheng, Liu, Zhi-Pan

“…We propose an unbiased general-purpose potential energy surface (PES) searching method for both the structure and the pathway prediction of a complex system…”
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Mechanism and Tafel Lines of Electro-Oxidation of Water to Oxygen on RuO2(110) by Fang, Ya-Hui, Liu, Zhi-Pan

“…How to efficiently oxidize H2O to O2 (H2O → 1/2O2 + 2H+ + 2e−) is a great challenge for electrochemical/photo water splitting owing to the high overpotential…”
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Revealing the Size Effect of Platinum Cocatalyst for Photocatalytic Hydrogen Evolution on TiO2 Support: A DFT Study by Wang, Dong, Liu, Zhi-Pan, Yang, Wei-Min

“…In heterogeneous catalysis metal particle morphology and size can influence markedly the activity, both in heat-driven and in electro-photocatalytic…”
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Large-Scale Atomic Simulation via Machine Learning Potentials Constructed by Global Potential Energy Surface Exploration by Kang, Pei-Lin, Shang, Cheng, Liu, Zhi-Pan

“…Atomic simulations based on quantum mechanics (QM) calculations have entered into the tool box of chemists over the past few decades, facilitating an…”
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Origin and Activity of Gold Nanoparticles as Aerobic Oxidation Catalysts in Aqueous Solution by Shang, Cheng, Liu, Zhi-Pan

“…Whether gold is catalytically active on its own has been hotly debated since the discovery of gold-based catalysis in the 1980s. One of the central…”
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LASP: Fast global potential energy surface exploration by Huang, Si‐Da, Shang, Cheng, Kang, Pei‐Lin, Zhang, Xiao‐Jie, Liu, Zhi‐Pan

“…Here we introduce the LASP code, which is designed for large‐scale atomistic simulation of complex materials with neural network (NN) potential. The software…”
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Machine learning potential era of zeolite simulation by Ma, Sicong, Liu, Zhi-Pan

“…Zeolites, owing to their great variety and complexity in structure and wide applications in chemistry, have long been the hot topic in chemical research. This…”
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Tafel Kinetics of Electrocatalytic Reactions: From Experiment to First-Principles by Fang, Ya-Hui, Liu, Zhi-Pan

“…The Tafel equation is of fundamental importance in electrochemical kinetics, formulating a quantitative relation between the current and the applied…”
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Particle Size, Shape and Activity for Photocatalysis on Titania Anatase Nanoparticles in Aqueous Surroundings by Li, Ye-Fei, Liu, Zhi-Pan

“…TiO2 nanoparticles have been widely utilized in photocatalysis, but the atomic level understanding on their working mechanism falls much short of expectations…”
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In Situ Active Site for CO Activation in Fe-Catalyzed Fischer–Tropsch Synthesis from Machine Learning by Liu, Qian-Yu, Shang, Cheng, Liu, Zhi-Pan

“…In situ-formed iron carbides (FeC x ) are the key components responsible for Fischer–Tropsch synthesis (FTS, CO + H2 → long-chain hydrocarbons) on Fe-based…”
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In Situ Surface Structures of PdAg Catalyst and Their Influence on Acetylene Semihydrogenation Revealed by Machine Learning and Experiment by Li, Xiao-Tian, Chen, Lin, Shang, Cheng, Liu, Zhi-Pan

“…PdAg alloy is an industrial catalyst for acetylene-selective hydrogenation in excess ethene. While significant efforts have been devoted to increase the…”
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Steering the Glycerol Electro‐Reforming Selectivity via Cation–Intermediate Interactions by Wu, Jianxiang, Li, Jili, Li, Yefei, Ma, Xian‐Yin, Zhang, Wei‐Yi, Hao, Yaming, Cai, Wen‐Bin, Liu, Zhi‐Pan, Gong, Ming

“…Electro‐reforming of renewable biomass resources is an alternative technology for sustainable pure H2 production. Herein, we discovered an unconventional…”
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Oxygen Evolution Activity on NiOOH Catalysts: Four-Coordinated Ni Cation as the Active Site and the Hydroperoxide Mechanism by Li, Li-Fen, Li, Ye-Fei, Liu, Zhi-Pan

“…The NiOOH catalyst as obtained dynamically from electrodeposition of Ni2+(aq) in the borate-containing electrolyte was observed to exhibit much higher oxygen…”
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Reaction Network of Layer-to-Tunnel Transition of MnO2 by Li, Ye-Fei, Zhu, Sheng-Cai, Liu, Zhi-Pan

“…As a model system of 2-D oxide material, layered δ-MnO2 has important applications in Li ion battery systems. δ-MnO2 is also widely utilized as a precursor to…”
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Structure and Catalysis of NiOOH: Recent Advances on Atomic Simulation by Li, Ye-Fei, Li, Ji-Li, Liu, Zhi-Pan

“…NiOOH is one of the most promising catalysts for electrooxidation of water and organic molecules. Accompanying the long experimental practice to optimize the…”
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