成果/Result
- Self-Expanding Ion-Transport Channels on Anodes for Fast-Charging Lithium-Ion Batteries被引量：158收藏
- 作者：An, Juan Zhang, Hongyu Qi, Lu Li, Guoxing Li, Yuliang
- 机构：Shandong Univ;Chinese Acad Sci;East China Univ Sci & Technol;Univ Chinese Acad Sci
- 来源：ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 2022
- 关键词：electrochemistry fast charging graphdiyne ion-transport channels lithium-ion batteries
- Graphdiyne: A promising anode material for lithium ion batteries with high capacity and rate capability被引量：133收藏
- 作者：Zhang, Hongyu Xia, Yueyuan Bu, Hongxia Wang, Xiaopeng Zhang, Meng Luo, Youhua Zhao, Mingwen
- 机构：E China Univ Sci & Technol;Shandong Univ;Shandong Univ
- 来源：JOURNAL OF APPLIED PHYSICS 2013
- 关键词：Porous materials - Anodes - Lithium-ion batteries - Storage (materials)
- Low-energy isomer identification, structural evolution, and magnetic properties in manganese-doped gold clusters MnAun (n = 1-16)被引量：92收藏
- 作者：Zhang, Meng Zhang, Hongyu Zhao, Lina Li, Yan Luo, Youhua
- 机构： Department of Physics; CAS Key Lab for Biomedical Effects of Nanomaterials and Nanosafety; Department of Physics
- 来源：Journal of Physical Chemistry A 2012
- 关键词：Binary alloys - Magnetic moments - Doping (additives) - Manganese - Density functional theory - Gold - Ground state - Plants (botany) - Isomers
- Ultrahigh-Capacity Molecular Hydrogen Storage of a Lithium-Decorated Boron Monolayer被引量：57收藏
- 作者：Li, Jiling Zhang, Hongyu Yang, Guowei
- 机构：Sun Yat Sen Univ;E China Univ Sci & Technol
- 来源：JOURNAL OF PHYSICAL CHEMISTRY C 2015
- 关键词：Molecules - Charge transfer - Hydrogen storage - Boron - Electric fields - Lithium - Atoms - Binding energy
- High stability of the goldalloy fullerenes: A density functional theory investigation of M12@Au20 (M = Na, Al, Ag, Sc, Y, La, Lu, and Au) clusters被引量：53收藏
- 作者：Zhang, Meng Feng, Xiao-Juan Zhao, Li-Xia Zhang, Hong-Yu Luo, You-Hua
- 机构： Department of Physics
- 来源：Chinese Physics B 2012
- 关键词：Molecular orbitals - Binding energy - Fullerenes - Nanostructures - Electronic properties - Gold
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- Half-metallicity in honeycomb-kagome-lattice Mg3C2 monolayer with carrier doping被引量：49收藏
- 作者：Pan, Hongzhe Han, Yin Li, Jianfu Zhang, Hongyu Du, Youwei Tang, Nujiang
- 机构： National Laboratory of Solid State Microstructures; School of Physics and Electronic Engineering; Department of Physics
- 来源：arXiv 2017
- 关键词：Astrophysics - Calculations - Electronic properties - Ferromagnetic materials - Ferromagnetism - Ground state - Honeycomb structures - Magnesium compounds - Metals - Orbits - Particle swarm optimization (PSO) - Semiconductor doping
- C4N3H monolayer: A novel two-dimensional organic Dirac material with high Fermi velocity被引量：49收藏
- 作者：Pan, Hongzhe Zhang, Hongyu Sun, Yuanyuan Li, Jianfu Du, Youwei Tang, Nujiang
- 机构： National Laboratory of Solid State Microstructures; School of Physics and Electronic Engineering; Department of Physics
- 来源：arXiv 2017
- 关键词：Graphene - Velocity
- Ultra-high hydrogen storage capacity of Li-decorated graphyne: A first-principles prediction被引量：46收藏
- 作者：Zhang, Hongyu Zhao, Mingwen Bu, Hongxia He, Xiujie Zhang, Meng Zhao, Lixia Luo, Youhua
- 机构：Shandong Univ;E China Univ Sci & Technol;Shandong Univ
- 来源：JOURNAL OF APPLIED PHYSICS 2012
- 关键词：Adsorption - Atoms - Calculations - Carbon - Charge transfer - Molecules
- Magnetic Superatoms in VLin (n=1-13) Clusters: A First-Principles Prediction被引量：43收藏
- 作者：Zhang, Meng Zhang, Jianfei Feng, Xiaojuan Zhang, Hongyu Zhao, Lixia Luo, Youhua Cao, Wei
- 机构：E China Univ Sci & Technol;Univ Oulu
- 来源：JOURNAL OF PHYSICAL CHEMISTRY A 2013
- 关键词：Magnetic moments - Doping (additives) - Binding energy - Molecular orbitals - Lithium - Chemical stability - Lithium alloys
- Tunable hydrogen separation in sp-sp2 hybridized carbon membranes: A first-principles prediction被引量：42收藏
- 作者：Zhang, Hongyu He, Xiujie Zhao, Mingwen Zhang, Meng Zhao, Lixia Feng, Xiaojuan Luo, Youhua
- 机构： Department of Physics; School of Physics
- 来源：Journal of Physical Chemistry C 2012
- 关键词：Gas permeable membranes - Separation - Sieves - Carbon - Calculations - Hydrogen - Molecules - Pore size
- The role of sp2 and sp3 hybridized bonds on the structural, mechanical, and electronic properties in a hard BN framework被引量：29收藏
- 作者：Bu, Hongxia Zheng, Haibin Zhou, Hongcai Zhang, Hongyu Yang, Zaifa Liu, Zhie Wang, Hui Xu, Qi
- 机构：Qilu Normal Univ;Qingdao Agr Univ;East China Univ Sci & Technol
- 来源：RSC ADVANCES 2019
- 关键词：Energy gap - Calculations - Electronic structure - Structural properties - Electronic properties - Stability
- Interstitial boron doping effects on the electronic and magnetic properties of graphitic carbon nitride materials被引量：28收藏
- 作者：Pan, Hongzhe Zhang, Hongyu Liu, Hongmei Chen, Li
- 机构：Linyi Univ;E China Univ Sci & Technol
- 来源：SOLID STATE COMMUNICATIONS 2015
- 关键词：Graphitic carbon nitride materials Density functional theory Boron doping effects
- Three-dimensional diffusion of molecular hydrogen in graphdiyne: a first-principles study被引量：28收藏
- 作者：Zhang, Hongyu Zhao, Xiaoyang Zhang, Meng Luo, Youhua Li, Guihua Zhao, Mingwen
- 机构：E China Univ Sci & Technol;Shandong Univ;Shandong Univ
- 来源：JOURNAL OF PHYSICS D-APPLIED PHYSICS 2013
- 关键词：Hydrogen storage - Diffusion in solids - Diffusion barriers - Diffusion in liquids - Van der Waals forces - Unloading
- Formation and annealing behaviors of qubit centers in 4H-SiC from first principles被引量：21收藏
- 作者：Wang, Xiaopeng Zhao, Mingwen Bu, Hongxia Zhang, Hongyu He, Xiujie Wang, Aizhu
- 机构：Shandong Univ;Shandong Univ;E China Univ Sci & Technol
- 来源：JOURNAL OF APPLIED PHYSICS 2013
- 关键词：Silicon carbide - Vacancies - Calculations - Annealing - Quantum computers
- Unusual mechanical and electronic behaviors of bulk layered hydrogen substituted graphdiyne under biaxial strain被引量：20收藏
- 作者：Pan, Hongzhe Zhang, Hongyu Wang, Haifeng Li, Jianfu Sun, Yuanyuan Lu, Weitao Wang, Xiaoli
- 机构：Linyi Univ;Nanjing Univ;East China Univ Sci & Technol;Shihezi Univ
- 来源：APPLIED SURFACE SCIENCE 2020
- 关键词：Hydrogen substituted graphdiyne Biaxial strain Mechanical properties Band gap First-principles calculations
- First-Principles Investigations of Chirality in Trimetallic Alloy Clusters: AlMnAun (n=1-7)被引量：18收藏
- 作者：Zhang, Meng Zhang, Jianfei Gu, Teng Zhang, Hongyu Luo, Youhua Cao, Wei
- 机构：E China Univ Sci & Technol;Fudan Univ;Fudan Univ;Univ Oulu
- 来源：JOURNAL OF PHYSICAL CHEMISTRY A 2015
- 关键词：Aluminum alloys - Binary alloys - Organic polymers - Circular dichroism spectroscopy - Biological materials - Chirality - Gold alloys - Self assembly - Iron alloys - Dichroism - Magnetic moments
- Structural stability and electronic properties of small gold clusters induced by 3p electron atoms被引量：11收藏
- 作者：Zhang, Meng Yang, Su-Bin Feng, Xiao-Juan Zhao, Li-Xia Zhang, Hong-Yu Luo, You-Hua
- 机构：E China Univ Sci & Technol
- 来源：EUROPEAN PHYSICAL JOURNAL D 2013
- 关键词：Density functional theory - Electrons - Ionization potential - Molecular dynamics - Electron affinity - Gold - Chemical bonds - Electronic structure - Isomers - Silicon compounds - Gold compounds - Molecular orbitals - Atoms - Binding energy - Charge transfer - Crystal atomic structure - Geometry
- Tensile strain effects on C4N3H monolayer: Large Poisson's ratio and robust Dirac cone被引量：8收藏
- 作者：Pan, Hongzhe Zhang, Hongyu Li, Jianfu Li, Qingfang Sun, Yuanyuan Wei, Mingzhen Zhu, Hongyang Wang, Xiaoli
- 机构：Linyi Univ;East China Univ Sci & Technol;Nanjing Univ Informat Sci & Technol;Univ Tulsa
- 来源：APPLIED PHYSICS LETTERS 2019
- 关键词：Monolayers - Stiffness - Poisson ratio - Calculations - Electronic properties
- The study of electronic and optical properties of ZnO/MoS2 and its vacancy heterostructures by first principles被引量：6收藏
- 作者：Wang, Xiao Zhang, Hongyu Yu, Wen
- 机构：East China Univ Sci & Technol;WenHua Coll;East China Univ Sci & Technol;Wenhua Coll
- 来源：INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 2024
- 关键词：absorption capability electronic structure first principles optical property vacancy engineering ZnO/MoS2 heterostructure
- Unraveling Special Structures and Properties of Gold-Covered Gold-Core Cage on Au33-42 Nanoparticles被引量：5收藏
- 作者：Zhao, Li-Xia Zhang, Meng Zhang, Hong-Yu Feng, Xiao-Juan Luo, You-Hua
- 机构：E China Univ Sci & Technol
- 来源：JOURNAL OF PHYSICAL CHEMISTRY A 2015
- 关键词：Metal nanoparticles - Atoms - Electronic properties - Density functional theory - Fiber optic sensors
- Adsorption and diffusion of gold adatoms on boron nitride nanoribbons: A first-principles study被引量：4收藏
- 作者：Li, Guihua Liu, Xiangdong Zhang, Hongyu Wang, Xiaopeng Bu, Hongxia Chen, Ming Li, Feng Zhao, Mingwen
- 机构：Shandong Univ;Shandong Univ;E China Univ Sci & Technol;Taishan Univ
- 来源：JOURNAL OF APPLIED PHYSICS 2012
- 关键词：III-V semiconductors - Boron nitride - Calculations - Electronic structure - Nanoribbons - Energy gap - Diffusion - Gold compounds - Nitrides
- Structural, electronic, and magnetic properties in FeAlAun (n=1-6) clusters: A first-principles study被引量：3收藏
- 作者：Zhang Jian-Fei Zhang Meng Zhao Yan-Wei Zhang Hong-Yu Zhao Li-Na Luo You-Hua
- 机构：E China Univ Sci & Technol;Chinese Acad Sci
- 来源：CHINESE PHYSICS B 2015
- 关键词：density functional theory structural properties gold properties
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- Effect of Electron and Hole Injection on Spin Polarization in Bis-(8-hydroxyquinoline) Zinc Molecule被引量：2收藏
- 作者：Yuan, Huimin Zhang, Hongyu Yuan, Xiaojuan Pang, Zhiyong Zhang, Xijian Bu, Hongxia
- 机构：Qilu Normal Univ;East China Univ Sci & Technol;Shandong Univ
- 来源：JOURNAL OF SUPERCONDUCTIVITY AND NOVEL MAGNETISM 2022
- 关键词：First-principles calculations Spontaneous spin polarization Bis-(8-hydroxyquinoline) zinc (Znq(2))
- Electronic and mechanical properties of C/Si phases with sp2 and sp3 hybridization: A first-principles study被引量：0收藏
- 作者：Bu, Hongxia Zheng, Haibin Zhou, Hongcai Zhang, Hongyu Yang, Zaifa Liu, Zhie Tan, Xia
- 机构：Qilu Normal Univ;Qingdao Agr Univ;East China Univ Sci & Technol
- 来源：AIP ADVANCES 2018
- 关键词：Silicon compounds
