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

Volltext

Zeolite-confined subnanometric PtSn mimicking mortise-and-tenon joinery for catalytic propane dehydrogenation von Ma, Sicong, Liu, Zhi-Pan

Volltext

Stochastic Surface Walking Method for Structure Prediction and Pathway Searching von Shang, Cheng, Liu, Zhi-Pan

Volltext

Mechanism and Tafel Lines of Electro-Oxidation of Water to Oxygen on RuO2(110) von Fang, Ya-Hui, Liu, Zhi-Pan

Volltext

Heterogeneous catalysis from structure to activity via SSW-NN method von Ma, Sicong, Shang, Cheng, Liu, Zhi-Pan

Volltext

Revealing the Size Effect of Platinum Cocatalyst for Photocatalytic Hydrogen Evolution on TiO2 Support: A DFT Study von Wang, Dong, Liu, Zhi-Pan, Yang, Wei-Min

Volltext

Glucose to 5‑Hydroxymethylfurfural: Origin of Site-Selectivity Resolved by Machine Learning Based Reaction Sampling von Kang, Pei-Lin, Shang, Cheng, Liu, Zhi-Pan

Volltext

Large-Scale Atomic Simulation via Machine Learning Potentials Constructed by Global Potential Energy Surface Exploration von Kang, Pei-Lin, Shang, Cheng, Liu, Zhi-Pan

Volltext

Origin and Activity of Gold Nanoparticles as Aerobic Oxidation Catalysts in Aqueous Solution von Shang, Cheng, Liu, Zhi-Pan

Volltext

LASP: Fast global potential energy surface exploration von Huang, Si‐Da, Shang, Cheng, Kang, Pei‐Lin, Zhang, Xiao‐Jie, Liu, Zhi‐Pan

Volltext

Machine learning potential era of zeolite simulation von Ma, Sicong, Liu, Zhi-Pan

Volltext

Metal boride better than Pt: HCP Pd2B as a superactive hydrogen evolution reaction catalyst von Chen, Lin, Ling-Ran, Zhang, Ling-Yan, Yao, Ya-Hui, Fang, He, Lin, Guang-Feng, Wei, Zhi-Pan, Liu

Volltext

Particle Size, Shape and Activity for Photocatalysis on Titania Anatase Nanoparticles in Aqueous Surroundings von Li, Ye-Fei, Liu, Zhi-Pan

Volltext

Steering the Glycerol Electro‐Reforming Selectivity via Cation–Intermediate Interactions von Wu, Jianxiang, Li, Jili, Li, Yefei, Ma, Xian‐Yin, Zhang, Wei‐Yi, Hao, Yaming, Cai, Wen‐Bin, Liu, Zhi‐Pan, Gong, Ming

Volltext

Oxygen Evolution Activity on NiOOH Catalysts: Four-Coordinated Ni Cation as the Active Site and the Hydroperoxide Mechanism von Li, Li-Fen, Li, Ye-Fei, Liu, Zhi-Pan

Volltext

Reaction Network of Layer-to-Tunnel Transition of MnO2 von Li, Ye-Fei, Zhu, Sheng-Cai, Liu, Zhi-Pan

Volltext

Structure and Catalysis of NiOOH: Recent Advances on Atomic Simulation von Li, Ye-Fei, Li, Ji-Li, Liu, Zhi-Pan

Volltext

Accelerated active phase transformation of NiO powered by Pt single atoms for enhanced oxygen evolution reaction von Lin, Chao, Zhao, Yonghui, Zhang, Haojie, Xie, Songhai, Li, Ye-Fei, Li, Xiaopeng, Jiang, Zheng, Liu, Zhi-Pan

Volltext

Comprehensive Mechanism and Structure-Sensitivity of Ethanol Oxidation on Platinum: New Transition-State Searching Method for Resolving the Complex Reaction Network von Wang, Hui-Fang, Liu, Zhi-Pan

Volltext

Mechanism and Activity of Photocatalytic Oxygen Evolution on Titania Anatase in Aqueous Surroundings von Li, Ye-Fei, Liu, Zhi-Pan, Liu, LuLu, Gao, Weiguo

Volltext