成果/Result
- 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)
- Iodine doped Z-scheme Bi2O2CO3/Bi2WO6 photocatalysts: Facile synthesis, efficient visible light photocatalysis, and photocatalytic mechanism被引量：120收藏
- 作者：Qiang, Zhuomin Liu, Ximeng Li, Feng Li, Taihai Zhang, Meng Singh, Harishchandra Huttula, Marko Cao, Wei
- 机构：Xiangtan Univ;Univ Oulu;East China Univ Sci & Technol
- 来源：CHEMICAL ENGINEERING JOURNAL 2021
- 关键词：Photocatalytic I-doped Bi2O2CO3/Bi(2)WO(6)d Solvothermal Z-scheme Density functional theory calculation
- 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
- A New Allotrope of Nitrogen as High-Energy Density Material被引量：88收藏
- 作者：Greschner, Michael J. Zhang, Meng Majumdar, Arnab Liu, Hanyu Peng, Feng Tse, John S. Yao, Yansun
- 机构：Univ Saskatchewan;Canadian Light Source;E China Univ Sci & Technol;Carnegie Inst Washington;Luoyang Normal Univ
- 来源：JOURNAL OF PHYSICAL CHEMISTRY A 2016
- 关键词：High pressure engineering - Nitrogen - Charge transfer - Synthesis (chemical)
- Structures and electronic properties of M@Au6 (M=Al, Si, P, S, Cl, Ar) clusters: A density functional theory investigation被引量：85收藏
- 作者：Zhang, M. Chen, S. Deng, Q.M. He, L.M. Zhao, L.N. Luo, Y.H.
- 机构： Department of Physics; CAS Key Lab for Biological Effects of Nanomaterials and Nanosafety
- 来源：European Physical Journal D 2010
- 关键词：Isomers - Density functional theory - Binding energy - Ground state - Transition metals
- Tuning magnetic moments by 3d transition-metal-doped Au6 clusters被引量：82收藏
- 作者：Zhang, Meng He, Li-Ming Zhao, Li-Xia Feng, Xiao-Juan Luo, You-Hua
- 机构： Department of Physics
- 来源：Journal of Physical Chemistry C 2009
- 关键词：Atoms - Binary alloys - Ground state - Binding energy - Magnetic moments - Magnetic properties - Transition metals
- Single Layer of Polymeric Cobalt Phthalocyanine: Promising Low-Cost and High-Activity Nanocatalysts for CO Oxidation被引量：79收藏
- 作者：Deng, Qingming Zhao, Lina Gao, Xingfa Zhang, Meng Luo, Youhua Zhao, Yuliang
- 机构：Chinese Acad Sci;Natl Ctr Nanosci & Technol China;E China Univ Sci & Technol
- 来源：SMALL 2013
- 关键词：catalysts first-principles calculations oxidation phthalocyanines transition metals
- Improved photocatalytic Bi2WO6/BiOCl heterojunctions: One-step synthesis via an ionic-liquid assisted ultrasonic method and first-principles calculations被引量：72收藏
- 作者：Zhu, Shiwen Yang, Chengyu Li, Feng Li, Taohai Zhang, Meng Cao, Wei
- 机构：Xiangtan Univ;East China Univ Sci & Technol;Univ Oulu
- 来源：MOLECULAR CATALYSIS 2017
- 关键词：Bi2WO6/BiOCl Heterojunctions Ionic-liquid Ultrasonic Photocatalytic
- Probing the magnetic and structural properties of the 3d, 4d, 5d impurities encapsulated in an icosahedral Ag12 cage被引量：63收藏
- 作者：Zhang, Meng Gu, Xiao-Yan Zhang, Wen-Li Zhao, Li-Na He, Li-Ming Luo, You-Hua
- 机构： Department of Physics; State Key Laboratory of Chemical Engineering; CAS Key Lab for Biological Effects of Nanomaterials and Nanosafety
- 来源：Physica B: Condensed Matter 2010
- 关键词：Magnetic properties - Binary alloys - Magnetic moments - Silver - Structural properties - Atoms - Binding energy
- Preparation and first-principles study for electronic structures of BiOI/BiOcl composites with highly improved photocatalytic and adsorption performances被引量：58收藏
- 作者：Yang, Chengyu Li, Feng Zhang, Meng Li, Taohai Cao, Wei
- 机构：Xiangtan Univ;East China Univ Sci & Technol;Univ Oulu
- 来源：JOURNAL OF MOLECULAR CATALYSIS A-CHEMICAL 2016
- 关键词：BiOI/BiOCl Ionic-liquid Photocatalytic Visible light Ultrasonic
- 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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- 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
- A new relativistic Hartree-Fock calculation scheme and its application to the evaluation of fine-structure intervals for nd (n = 3-40) series of sodium被引量：46收藏
- 作者：He, Liming Zhu, Yunxia Zhang, Meng Tu, Yaoquan
- 机构： Department of Physics; Division of Theoretical Chemistry and Biology
- 来源：Journal of Physics B: Atomic, Molecular and Optical Physics 2011
- 关键词：Rydberg states - Sodium - EIgenvalues and EIgenfunctions
- 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
- Superhydrophobicity construction with dye-sensitised TiO2 on fabric surface for both oil/water separation and water bulk contaminants purification被引量：42收藏
- 作者：Yu, Linfeng Zhang, Shengmiao Zhang, Meng Chen, Jianding
- 机构：East China Univ Sci & Technol;East China Univ Sci & Technol
- 来源：APPLIED SURFACE SCIENCE 2017
- 关键词：Oil/water separation TiO2 Superhydrophobicity Dye sensitization
- First-principles study of monolayer MoS2 with deficient and excessive Mon and Sn (n = -3 → 3) clusters on 5 × 5 supercells被引量：39收藏
- 作者：Wu, Zhaolong Wang, Yuyi Ye, Yuezhen Feng, Jinming Zhang, Meng Luo, Youhua He, Liming Cao, Wei
- 机构： Department of Physics; Nano and Molecular Systems Research Unit
- 来源：Computational Materials Science 2016
- 关键词：Crystal impurities - Doping (additives) - Molecular dynamics - Calculations - Energy gap - Layered semiconductors - Monolayers
- Density-functional investigation of 3d, 4d, 5d impurity doped Au 6 clusters被引量：39收藏
- 作者：Zhang, Meng Feng, Xiao-Juan Zhao, Li-Xia He, Li-Ming Luo, You-Hua
- 机构： Department of Physics
- 来源：Chinese Physics B 2010
- 关键词：Atoms - Ground state - Binding energy - Gold - Gold alloys - Binary alloys - Palladium alloys - Electronic properties - Isomers
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- Metallic Contact between MoS2 and Ni via Au Nanoglue被引量：36收藏
- 作者：Shi, Xinying Posysaev, Sergei Huttula, Marko Pankratov, Vladimir Hoszowska, Joanna Dousse, Jean-Claude Zeeshan, Faisal Niu, Yuran Zakharov, Alexei Li, Taohai Miroshnichenko, Olga Zhang, Meng Wang, Xiao Huang, Zhongjia Saukko, Sami Gonzalez, Diego Lopez van Dijken, Sebastiaan Alatalo, Matti Cao, Wei
- 机构：Univ Oulu;Univ Fribourg;Lund Univ;Xiangtan Univ;East China Univ Sci & Technol
- 来源：SMALL 2018
- 关键词：first-principles calculations inorganic layered crystals metal-semiconductor contact synchrotron radiation
- Gold nanoparticles on MoS2 layered crystal flakes被引量：35收藏
- 作者：Cao, Wei Pankratov, Vladimir Huttula, Marko Shi, Xinying Saukko, Sami Huang, Zhongjia Zhang, Meng
- 机构：Univ Oulu;Univ Oulu;Anhui Polytech Univ;E China Univ Sci & Technol
- 来源：MATERIALS CHEMISTRY AND PHYSICS 2015
- 关键词：Nanostructures Chemical synthesis Electron microscopy Photoluminescence spectroscopy
- Carbon-tuned bonding method significantly enhanced the hydrogen storage of BN-Li complexes被引量：28收藏
- 作者：Deng, Qing-ming Zhao, Lina Luo, You-hua Zhang, Meng Zhao, Li-xia Zhao, Yuliang
- 机构：Chinese Acad Sci;Chinese Acad Sci;Natl Ctr Nanosci & Technol;E China Univ Sci & Technol
- 来源：NANOSCALE 2011
- 关键词：Electric fields - Hydrogen storage - Atoms - Calculations - Molecules - Lithium compounds
- 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
- Superatom Orbitals, Orbital Splitting and Structure Prediction of Pure Alkali Metal Clusters被引量：26收藏
- 作者：Liu, Jin Yan, Zhi-Jie Jin, Yi-Chao Zhang, Meng
- 机构： Department of Science
- 来源：arXiv 2022
- 关键词：Forecasting - Lithium compounds
- Luminescence and vacuum ultraviolet excitation spectroscopy of samarium doped SrB4O7被引量：25收藏
- 作者：Tuomela, Anu Zhang, Meng Huttula, Marko Sakirzanovas, Simas Kareiva, Aivaras Popov, Anatoli, I Kozlova, Anna P. Aravindh, S. Assa Cao, Wei Pankratov, Vladimir
- 机构：Univ Oulu;East China Univ Sci & Technol;Vilnius Univ;Univ Latvia;Natl Univ Sci & Technol MISiS
- 来源：JOURNAL OF ALLOYS AND COMPOUNDS 2020
- 关键词：SrB4O7 Sm2+ Sm3+ Luminescence VUV spectroscopy First-principles calculations Synchrotron radiation
- A computational study of antireflection structures bio-mimicked from leaf surface morphologies被引量：23收藏
- 作者：Huang, Zhongjia Shi, Tao Zhang, Hui Zhang, Meng Huttula, Marko Cao, Wei
- 机构：Anhui Polytech Univ;Soochow Univ;Soochow Univ;E China Univ Sci & Technol;Univ Oulu
- 来源：SOLAR ENERGY 2016
- 关键词：Foliage biomimetic Antireflection patterning Numerical simulation
- Energies, Auger widths and branching ratios of the doubly core-excited 2s2p3 resonances for Be-like oxygen被引量：23收藏
- 作者：Chen, Feng Zhang, Meng Gou, Bingcong
- 机构： Department of Chemistry; Department of Physics; Department of Physics
- 来源：Journal of Physics B: Atomic, Molecular and Optical Physics 2006
- 关键词：Auger electron spectroscopy - Channel capacity - Electric excitation - Oxygen - Perturbation techniques - Polarization
- Quantitative assessment of structural and compositional colors induced by femtosecond laser: A case study on 301LN stainless steel surface被引量：22收藏
- 作者：Shi, Xinying Huang, Zhongjia Laakso, Miku J. Niklaus, Frank Sliz, Rafal Fabritius, Tapio Somani, Mahesh Nyo, Tun Wang, Xiao Zhang, Meng Wang, Gang Komi, Jukka Huttula, Marko Cao, Wei
- 机构：Jiangsu Normal Univ;Univ Oulu;Anhui Polytech Univ;KTH Royal Inst Technol;Univ Oulu
- 来源：APPLIED SURFACE SCIENCE 2019
- 关键词：Laser coloration Structural color Compositional color Femtosecond laser marking
- Z-scheme Bi2O3/Bi/ZnIn2S4 photocatalyst for enhancing the removal performance of Cr(VI), 2,4-dinitrophenol and tetracycline被引量：21收藏
- 作者：Luo, Jing Shi, Zhaoxia Meng, Jiefeng Li, Feng Li, Taohai Zhang, Meng Greco, Rossella Cao, Wei
- 机构：Xiangtan Univ;East China Univ Sci & Technol;Univ Oulu;Univ Oulu
- 来源：JOURNAL OF INDUSTRIAL AND ENGINEERING CHEMISTRY 2023
- 关键词：Bi Synthesis Z-scheme heterojunction Photocatalysis
- A direct Z-scheme BS/PtO2 van der Waals heterojunction for enhanced visible-light photocatalytic water splitting: a first-principles study被引量：20收藏
- 作者：Zhou, Bowei Zhu, ZiTao Sun, Zhengdong Zhang, Meng Wang, Xiao
- 机构：East China Univ Sci & Technol
- 来源：PHYSICAL CHEMISTRY CHEMICAL PHYSICS 2024
- 关键词：Light absorption - Photocatalytic activity - Redox reactions - Solar energy - Solar energy conversion - Van der Waals forces
- First-principles studies of lithium adsorption and diffusion on silicene with grain boundaries被引量：19收藏
- 作者：Wang, Xiao Liu, Huazhong Huttula, Marko Luo, Youhua Zhang, Meng Cao, Wei
- 机构：East China Univ Sci & Technol;Wuhan Donghu Univ;Univ Oulu
- 来源：INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 2019
- 关键词：first-principles simulations grain boundary lithium adsorption and diffusion silicene
