Zhenyu Li

ResearcherID ORCID

Publication Activity (10 Years)

Years Active: 2016-2024
Publications (10 Years): 63

Top Topics

Room Temperature

Molecular Dynamics

Top Venues

The journal of physical chemistry letters

Chemical science

Nature communications

This page only lists publications with an associated author ORCID identifier.

Publications

Yuqin Zhang, Da Wang, Guanping Wei, Baolei Li, Zongchang Mao, Si-Min Xu, Shaobin Tang, Jun Jiang, Zhenyu Li, Xijun Wang, Xin Xu
Engineering Spin Polarization of the Surface-Adsorbed Fe Atom by Intercalating a Transition Metal Atom into the MoS 2 Bilayer for Enhanced Nitrogen Reduction. JACS Au 4 (4) (2024)
Bo Tang, Yeguang Fang, Shuang Zhu, Qi Bai, Xiaojiao Li, Laiyang Wei, Zhenyu Li, Chongqin Zhu
Tuning hydrogen bond network connectivity in the electric double layer with cations. Chemical science 15 (19) (2024)
Yao Zhang, Leilei Zhu, Zhaoxia Yang, Weijian Tao, Zeng Chen, Tianjing Li, Haixin Lei, Congzhou Li, Lin Wang, Wenming Tian, Zhenyu Li, Honghui Shang, Haiming Zhu
Transient Photoinduced Pb 2+ Disproportionation for Exciton Self-Trapping and Broadband Emission in Low-Dimensional Lead Halide Perovskites. Journal of the American Chemical Society (2024)
Jie Liu, Huan Ma, Honghui Shang, Zhenyu Li, Jinglong Yang
Quantum-centric high performance computing for quantum chemistry. Physical chemistry chemical physics : PCCP (2024)
Bo Tang, Yeguang Fang, Shuang Zhu, Qi Bai, Xiaojiao Li, Laiyang Wei, Zhenyu Li, Chongqin Zhu
Tuning hydrogen bond network connectivity in the electric double layer with cations. Chemical science 15 (19) (2024)
Yuqin Zhang, Da Wang, Guanping Wei, Baolei Li, Zongchang Mao, Si-Min Xu, Shaobin Tang, Jun Jiang, Zhenyu Li, Xijun Wang, Xin Xu
Engineering Spin Polarization of the Surface-Adsorbed Fe Atom by Intercalating a Transition Metal Atom into the MoS 2 Bilayer for Enhanced Nitrogen Reduction. JACS Au 4 (4) (2024)
Yao Zhang, Leilei Zhu, Zhaoxia Yang, Weijian Tao, Zeng Chen, Tianjing Li, Haixin Lei, Congzhou Li, Lin Wang, Wenming Tian, Zhenyu Li, Honghui Shang, Haiming Zhu
Transient Photoinduced Pb 2+ Disproportionation for Exciton Self-Trapping and Broadband Emission in Low-Dimensional Lead Halide Perovskites. Journal of the American Chemical Society 146 (11) (2024)
Jie Liu, Huan Ma, Honghui Shang, Zhenyu Li, Jinglong Yang
Quantum-centric high performance computing for quantum chemistry. Physical chemistry chemical physics : PCCP 26 (22) (2024)
Ling Hua, Zhenyu Li
Ideal Vacuum-Based Efficient and High-Throughput Computational Screening of Type II Heterojunctions. ACS applied materials & interfaces (2023)
Yufeng Liu, Zhenyu Li
Predict Ionization Energy of Molecules Using Conventional and Graph-Based Machine Learning Models. Journal of chemical information and modeling (2023)
Lv Hu, Jinzhu Wang, Kai Wang, Zhenqi Gu, Zhiwei Xi, Hui Li, Fang Chen, Youxi Wang, Zhenyu Li, Cheng Ma
A cost-effective, ionically conductive and compressible oxychloride solid-state electrolyte for stable all-solid-state lithium-based batteries. Nature communications 14 (1) (2023)
Wenjun Chu, Xinbo Ma, Zhenyu Li
Intrinsic defects in B-site columnar-ordered halide double perovskites Cs 2 AgPdBr 5 . Physical chemistry chemical physics : PCCP (2023)
Honghui Shang, Yi Fan, Li Shen, Chu Guo, Jie Liu, Xiaohui Duan, Fang Li, Zhenyu Li
Towards practical and massively parallel quantum computing emulation for quantum chemistry. NPJ quantum information 9 (1) (2023)
Yi Fan, Chang-Su Cao, Xusheng Xu, Zhenyu Li, Dingshun Lv, Man-Hong Yung
Circuit-Depth Reduction of Unitary-Coupled-Cluster Ansatz by Energy Sorting. The journal of physical chemistry letters (2023)
Yufeng Liu, Zhenyu Li
Predict Ionization Energy of Molecules Using Conventional and Graph-Based Machine Learning Models. Journal of chemical information and modeling 63 (3) (2023)
Huan Ma, Jie Liu, Honghui Shang, Yi Fan, Zhenyu Li, Jinglong Yang
Multiscale quantum algorithms for quantum chemistry. Chemical science 14 (12) (2023)
Xinbo Ma, Wenjun Chu, Youxi Wang, Zhenyu Li, Jinglong Yang
Increasing the Efficiency of Photocatalytic Water Splitting via Introducing Intermediate Bands. The journal of physical chemistry letters (2023)
Yi Fan, Jie Liu, Zhenyu Li, Jinglong Yang
Quantum Circuit Matrix Product State Ansatz for Large-Scale Simulations of Molecules. Journal of chemical theory and computation (2023)
Xinbo Ma, Wenjun Chu, Youxi Wang, Zhenyu Li, Jinglong Yang
Increasing the Efficiency of Photocatalytic Water Splitting via Introducing Intermediate Bands. The journal of physical chemistry letters 14 (3) (2023)
Shirui Weng, Wenjun Chu, Huaze Zhu, Junxiang Li, Ronglu Dong, Rui Niu, Jun Yang, Changjin Zhang, Zhenyu Li, Liangbao Yang
Near-Neighbor Electron Orbital Coupling Effect of Single-Atomic-Layer Au Cluster Intercalated Bilayer 2H-TaS 2 for Surface Enhanced Raman Scattering Sensing. The journal of physical chemistry letters (2023)
Yi-Chen Yin, Jing-Tian Yang, Jin-Da Luo, Gong-Xun Lu, Zhongyuan Huang, Jian-Ping Wang, Pai Li, Feng Li, Ye-Chao Wu, Te Tian, Yu-Feng Meng, Hong-Sheng Mo, Yong-Hui Song, Jun-Nan Yang, Li-Zhe Feng, Tao Ma, Wen Wen, Ke Gong, Lin-Jun Wang, Huan-Xin Ju, Yinguo Xiao, Zhenyu Li, Xin-Yong Tao, Hong-Bin Yao
A LaCl 3 -based lithium superionic conductor compatible with lithium metal. Nature 616 (7955) (2023)
Lv Hu, Jinzhu Wang, Kai Wang, Zhenqi Gu, Zhiwei Xi, Hui Li, Fang Chen, Youxi Wang, Zhenyu Li, Cheng Ma
A cost-effective, ionically conductive and compressible oxychloride solid-state electrolyte for stable all-solid-state lithium-based batteries. Nature communications 14 (1) (2023)
Xiongzhi Zeng, Yi Fan, Jie Liu, Zhenyu Li, Jinglong Yang
Quantum Neural Network Inspired Hardware Adaptable Ansatz for Efficient Quantum Simulation of Chemical Systems. Journal of chemical theory and computation (2023)
Yufeng Liu, Zhenyu Li
Predict Ionization Energy of Molecules Using Conventional and Graph-Based Machine Learning Models. Journal of chemical information and modeling 63 (3) (2023)
Huan Ma, Jie Liu, Honghui Shang, Yi Fan, Zhenyu Li, Jinglong Yang
Multiscale quantum algorithms for quantum chemistry. Chemical science 14 (12) (2023)
Zhenqi Gu, Jiale Ma, Feng Zhu, Ting Liu, Kai Wang, Ce-Wen Nan, Zhenyu Li, Cheng Ma
Atomic-scale study clarifying the role of space-charge layers in a Li-ion-conducting solid electrolyte. Nature communications 14 (1) (2023)
Yufeng Liu, Zhenyu Li
Predict Ionization Energy of Molecules Using Conventional and Graph-Based Machine Learning Models. Journal of chemical information and modeling 63 (3) (2023)
Xinbo Ma, Zhenyu Li
The Important Role of Optical Absorption in Determining the Efficiency of Intermediate Band Solar Cells and a Design Principle for Perovskite Doping. The journal of physical chemistry letters 13 (8) (2022)
Jie Liu, Yi Fan, Zhenyu Li, Jinglong Yang
Quantum algorithms for electronic structures: basis sets and boundary conditions. Chemical Society reviews 51 (8) (2022)
Pai Li, Xiongzhi Zeng, Zhenyu Li
Understanding High-Temperature Chemical Reactions on Metal Surfaces: A Case Study on Equilibrium Concentration and Diffusivity of C x H y on a Cu(111) Surface. JACS Au 2 (2) (2022)
Yuniu Sun, Hong Shi, Hao Yuan, Zhe Li, Jiefu Zhang, Dandan Zhou, Zhenyu Li, Xiang Shao
Unveiling the Atomic Structure and Growth Dynamics of One-Dimensional Water on ZnO(10-10). The journal of physical chemistry letters 13 (6) (2022)
Pai Li, Hongchang Jin, Gui-Ming Zhong, Hengxing Ji, Zhenyu Li, Jinglong Yang
Electrochemistry of P-C Bonds in Phosphorus-Carbon Based Anode Materials. ACS applied materials & interfaces 14 (16) (2022)
Jie Liu, Zhenyu Li, Jinglong Yang
Reducing Circuit Depth in Adaptive Variational Quantum Algorithms via Effective Hamiltonian Theories. Journal of chemical theory and computation 18 (8) (2022)
Zhenjie Liu, Jiale Ma, Xiangjian Liu, Haiyang Wu, Dianlun Wu, Bin Chen, Peng Huang, Yang Huang, Lei Wang, Zhenyu Li, Shu-Lei Chou
Coordinating zincophilic sites and a solvation shell for a dendrite-free Zn anode under the synergistic effects of polyacrylonitrile and dimethyl sulfoxide. Chemical science 14 (8) (2022)
Bo Tang, Zhenyu Li
Mechanisms of Reactions between HOI and HY (Y = Cl, Br, I) on a Water Nanodroplet Surface. The journal of physical chemistry. A 126 (43) (2022)
Zhenjie Liu, Jiale Ma, Xiangjian Liu, Haiyang Wu, Dianlun Wu, Bin Chen, Peng Huang, Yang Huang, Lei Wang, Zhenyu Li, Shu-Lei Chou
Coordinating zincophilic sites and a solvation shell for a dendrite-free Zn anode under the synergistic effects of polyacrylonitrile and dimethyl sulfoxide. Chemical science 14 (8) (2022)
Yanxian Tao, Xiongzhi Zeng, Yi Fan, Jie Liu, Zhenyu Li, Jinglong Yang
Exploring Accurate Potential Energy Surfaces via Integrating Variational Quantum Eigensolver with Machine Learning. The journal of physical chemistry letters 13 (28) (2022)
Bo Tang, Zhenyu Li
Reaction between a NO2 Dimer and Dissolved SO2: A New Mechanism for ONSO3- Formation and its Fate in Aerosol. The journal of physical chemistry. A 125 (38) (2021)
Jie Song, Soonho Kwon, Md Delowar Hossain, Sheng Chen, Zhenyu Li, William A Goddard Iii
Reaction Mechanism and Strategy for Optimizing the Hydrogen Evolution Reaction on Single-Layer 1T' WSe2 and WTe2 Based on Grand Canonical Potential Kinetics. ACS applied materials & interfaces 13 (46) (2021)
Luzhao Sun, Zihao Wang, Yuechen Wang, Liang Zhao, Yanglizhi Li, Buhang Chen, Shenghong Huang, Shishu Zhang, Wendong Wang, Ding Pei, Hongwei Fang, Shan Zhong, Haiyang Liu, Jincan Zhang, Lianming Tong, Yulin Chen, Zhenyu Li, Mark H Rümmeli, Konstantin S Novoselov, Hai-Lin Peng, Li Lin, Zhongfan Liu
Hetero-site nucleation for growing twisted bilayer graphene with a wide range of twist angles. Nature communications 12 (1) (2021)
Yi Fan, Jie Liu, Zhenyu Li, Jinglong Yang
Equation-of-Motion Theory to Calculate Accurate Band Structures with a Quantum Computer. The journal of physical chemistry letters 12 (36) (2021)
Jia Lin Zhang, Songtao Zhao, Shuo Sun, Wei Wang, Zhirui Ma, Xu Lian, Zhenyu Li, Wei Chen
Atom by Atom Condensation of Sn Single Clusters within Gold-Phosphorus Metal-Inorganic Porous Networks. The journal of physical chemistry letters 12 (2) (2021)
Hong Shi, Hao Yuan, Yuniu Sun, Xinbo Ma, Zhe Li, Dandan Zhou, Zhenyu Li, Xiang Shao
Single Molecular Reaction of Water on a ZnO Surface. Nano letters 21 (22) (2021)
Luzhao Sun, Buhang Chen, Wendong Wang, Yanglizhi Li, Xiongzhi Zeng, Haiyang Liu, Yu Liang, Zhenyong Zhao, Ali Cai, Rui Zhang, Yeshu Zhu, Yuechen Wang, Yuqing Song, Qingjie Ding, Xuan Gao, Hai-Lin Peng, Zhenyu Li, Li Lin, Zhongfan Liu
Toward Epitaxial Growth of Misorientation-Free Graphene on Cu(111) Foils. ACS nano 16 (1) (2021)
Bo Tang, Zhenyu Li
Molecular Mechanisms and Atmospheric Implications of Criegee Intermediate-Alcohol Chemistry in the Gas Phase and Aqueous Surface Environments. The journal of physical chemistry. A 124 (41) (2020)
Hao Yuan, Zhenyu Li, Xiao Cheng Zeng, Jinglong Yang
Descriptor-Based Design Principle for Two-Dimensional Single-Atom Catalysts: Carbon Dioxide Electroreduction. The journal of physical chemistry letters 11 (9) (2020)
Jie Liu, Lingyun Wan, Zhenyu Li, Jinglong Yang
Simulating Periodic Systems on a Quantum Computer Using Molecular Orbitals. Journal of chemical theory and computation 16 (11) (2020)
Jia Lin Zhang, Songtao Zhao, Shuo Sun, Honghe Ding, Jun Hu, Yuliang Li, Qian Xu, Xiaojiang Yu, Mykola Telychko, Jie Su, Chengding Gu, Yue Zheng, Xu Lian, Zhirui Ma, Rui Guo, Jiong Lu, Zhe Sun, Jun-Fa Zhu, Zhenyu Li, Wei Chen
Synthesis of Monolayer Blue Phosphorus Enabled by Silicon Intercalation. ACS nano 14 (3) (2020)
Shuo Sun, Songtao Zhao, Yong Zheng Luo, Xingyu Gu, Xu Lian, Anton Tadich, Dong-Chen Qi, Zhirui Ma, Yue Zheng, Chengding Gu, Jia Lin Zhang, Zhenyu Li, Wei Chen
Designing Kagome Lattice from Potassium Atoms on Phosphorus-Gold Surface Alloy. Nano letters 20 (7) (2020)
Xiaohui Deng, Zhenyu Li, Jinglong Yang
One-Dimensional Magnetic Order Stabilized in Edge-Reconstructed MoS2 Nanoribbon via Bias Voltage. The journal of physical chemistry letters 11 (18) (2020)
Xinbo Ma, Zhenyu Li
Half-filled intermediate bands in doped inorganic perovskites for solar cells. Physical chemistry chemical physics : PCCP 22 (41) (2020)
Jia Lin Zhang, Songtao Zhao, Mykola Telychko, Shuo Sun, Xu Lian, Jie Su, Anton Tadich, Dongchen Qi, Jincheng Zhuang, Yue Zheng, Zhirui Ma, Chengding Gu, Zehua Hu, Yi Du, Jiong Lu, Zhenyu Li, Wei Chen
Reversible Oxidation of Blue Phosphorus Monolayer on Au(111). Nano letters 19 (8) (2019)
Songfeng E, Liling Wu, Chaowei Li, Zezhou Zhu, Xiaoyang Long, Renjie Geng, Jun Zhang, Zhenyu Li, Weibang Lu, Yagang Yao
Growth of boron nitride nanotubes from magnesium diboride catalysts. Nanoscale 10 (29) (2018)
Zongyang Qiu, Pai Li, Zhenyu Li, Jinglong Yang
Atomistic Simulations of Graphene Growth: From Kinetics to Mechanism. Accounts of chemical research 51 (3) (2018)
Yuhan Peng, Zhigang Geng, Songtao Zhao, Liangbing Wang, Hongliang Li, Xu Wang, Xusheng Zheng, Jun-Fa Zhu, Zhenyu Li, Rui Si, Jie Zeng
Pt Single Atoms Embedded in the Surface of Ni Nanocrystals as Highly Active Catalysts for Selective Hydrogenation of Nitro Compounds. Nano letters 18 (6) (2018)
Ya-Rong Zheng, Ping Wu, Min-Rui Gao, Xiao-Long Zhang, Fei-Yue Gao, Huan-Xin Ju, Rui Wu, Qiang Gao, Rui You, Wei-Xin Huang, Shou-Jie Liu, Shan-Wei Hu, Jun-Fa Zhu, Zhenyu Li, Shu-Hong Yu
Doping-induced structural phase transition in cobalt diselenide enables enhanced hydrogen evolution catalysis. Nature communications 9 (1) (2018)
Pai Li, Zhenyu Li, Jinglong Yang
Rational Design of Two-dimensional Anode Materials: B2S as a Strained Graphene. The journal of physical chemistry letters 9 (17) (2018)
Chengding Gu, Songtao Zhao, Jia Lin Zhang, Shuo Sun, Kaidi Yuan, Zehua Hu, Cheng Han, Zhirui Ma, Li Wang, Fengwei Huo, Kaiwei Huang, Zhenyu Li, Wei Chen
Growth of Quasi-Free-Standing Single-Layer Blue Phosphorus on Tellurium Monolayer Functionalized Au(111). ACS nano 11 (5) (2017)
Ping Cui, Jin-Ho Choi, Changgan Zeng, Zhenyu Li, Jinlong Yang, Zhen-Yu Zhang
A Kinetic Pathway toward High-Density Ordered N Doping of Epitaxial Graphene on Cu(111) Using C5NCl5 Precursors. Journal of the American Chemical Society 139 (21) (2017)
Ruiqi Zhang, Zhenyu Li, Jinglong Yang
Two-Dimensional Stoichiometric Boron Oxides as a Versatile Platform for Electronic Structure Engineering. The journal of physical chemistry letters 8 (18) (2017)
Ping Cui, Jin-Ho Choi, Wei Chen, Jiang Zeng, Chih-Kang Shih, Zhenyu Li, Zhen-Yu Zhang
Contrasting Structural Reconstructions, Electronic Properties, and Magnetic Orderings along Different Edges of Zigzag Transition Metal Dichalcogenide Nanoribbons. Nano letters 17 (2) (2017)
Jinfei Ling, Xunlei Ding, Zhenyu Li, Jinlong Yang
First-Principles Study of Molecular Clusters Formed by Nitric Acid and Ammonia. The journal of physical chemistry. A 121 (3) (2017)
Zongyang Qiu, Li Song, Jin Zhao, Zhenyu Li, Jinlong Yang
The Nanoparticle Size Effect in Graphene Cutting: A "Pac-Man" Mechanism. Angewandte Chemie (International ed. in English) 55 (34) (2016)