成果/Result
- Tunable Hydrogen Separation in sp-sp2 Hybridized Carbon Membranes: A First-Principles Prediction被引量：136收藏
- 作者：Zhang, Hongyu He, Xiujie Zhao, Mingwen Zhang, Meng Zhao, Lixia Feng, Xiaojuan Luo, Youhua
- 机构：Shandong Univ;Shandong Univ;E China Univ Sci & Technol
- 来源：JOURNAL OF PHYSICAL CHEMISTRY C 2012
- 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
- 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)
- 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
- Tuning Magnetic Moments by 3d Transition-Metal-Doped Au6 Clusters被引量：69收藏
- 作者：Zhang, Meng He, Li-Ming Zhao, Li-Xia Feng, Xiao-Juan Luo, You-Hua
- 机构：E China Univ Sci & Technol
- 来源：JOURNAL OF PHYSICAL CHEMISTRY C 2009
- 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
- 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
- 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
- Nanosecond laser coloration on stainless steel surface被引量：37收藏
- 作者：Lu, Yan Shi, Xinying Huang, Zhongjia Li, Taohai Zhang, Meng Czajkowski, Jakub Fabritius, Tapio Huttula, Marko Cao, Wei
- 机构：Henan Univ Sci & Technol;Univ Oulu;Anhui Polytech Univ;Xiangtan Univ;East China Univ Sci & Technol
- 来源：SCIENTIFIC REPORTS 2017
- Strain enhanced lithium adsorption and diffusion on silicene被引量：36收藏
- 作者：Wang, Xiao Luo, Youhua Yan, Ting Cao, Wei Zhang, Meng
- 机构：East China Univ Sci & Technol;Wuhan Museum Sci & Technol;Nano & Mol Syst Res Unit
- 来源：PHYSICAL CHEMISTRY CHEMICAL PHYSICS 2017
- 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
- Replication of Leaf Surface Structures for Light Harvesting被引量：35收藏
- 作者：Huang, Zhongjia Yang, Sai Zhang, Hui Zhang, Meng Cao, Wei
- 机构：Anhui Polytech Univ;Soochow Univ;Soochow Univ;E China Univ Sci & Technol;Univ Oulu
- 来源：SCIENTIFIC REPORTS 2015
- 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
- Transition Metal Adsorbed- Doped ZnO Monolayer: 2D Dilute Magnetic Semiconductor, Magnetic Mechanism, and Beyond 2D被引量：27收藏
- 作者：Zhang, Meng Shi, Xinying Wang, Xiao Li, Taohai Huttula, Marko Luo, Youhua Cao, Wei
- 机构：East China Univ Sci & Technol;Univ Oulu;Xiangtan Univ
- 来源：ACS OMEGA 2017
- Low-Energy Isomer Identification, Structural Evolution, and Magnetic Properties in Manganese-Doped Gold Clusters MnAun (n=1-16)被引量：27收藏
- 作者：Zhang, Meng Zhang, Hongyu Zhao, Lina Li, Yan Luo, Youhua
- 机构：E China Normal Univ;Chinese Acad Sci;E China Univ Sci & Technol
- 来源：JOURNAL OF PHYSICAL CHEMISTRY A 2012
- Structures and electronic properties of M@Au6 (M=Al, Si, P, S, Cl, Ar) clusters: a density functional theory investigation被引量：26收藏
- 作者：Zhang, M. Chen, S. Deng, Q. M. He, L. M. Zhao, L. N. Luo, Y. H.
- 机构：E China Univ Sci & Technol;Inst High Energy Phys
- 来源：EUROPEAN PHYSICAL JOURNAL D 2010
- 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
- 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
- Magnetic MoS2 pizzas and sandwiches with Mnn (n=1-4) cluster toppings and fillings: A first-principles investigation被引量：20收藏
- 作者：Zhang, Meng Huang, Zhongjia Wang, Xiao Zhang, Hongyu Li, Taohai Wu, Zhaolong Luo, Youhua Cao, Wei
- 机构：E China Univ Sci & Technol;Anhui Polytech Univ;Xiangtan Univ;Univ Oulu
- 来源：SCIENTIFIC REPORTS 2016
- 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
- A density functional theory study of the Au7Hn (n=1-10) clusters被引量：19收藏
- 作者：Zhang, Meng He, Li-Ming Zhao, Li-Xia Feng, Xiao-Juan Cao, Wei Luo, You-Hua
- 机构：E China Univ Sci & Technol;Univ Fribourg
- 来源：JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM 2009
- 关键词：Density functional theory Structural properties Magnetic properties Small gold clusters
- 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
- Vacuum ultraviolet excitation luminescence spectroscopy of few-layered MoS2被引量：19收藏
- 作者：Pankratov, V. Hoszowska, J. Dousse, J-Cl Huttula, M. Kis, A. Krasnozhon, D. Zhang, M. Cao, W.
- 机构：Univ Oulu;Univ Fribourg;Ecole Polytech Fed Lausanne;E China Univ Sci & Technol
- 来源：JOURNAL OF PHYSICS-CONDENSED MATTER 2016
- 关键词：low dimensional MoS2 excitation spectrum first-principles calculations photoluminescence
