- 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
- 质疑
- 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
- 质疑
- 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
- 质疑
- Structure and stability of Al-doped boron clusters by the density-functional theory被引量：64收藏
- 作者：Feng, Xiao-Juan Luo, You-Hua
- 机构：E China Univ Sci & Technol
- 来源：JOURNAL OF PHYSICAL CHEMISTRY A 2007
- 关键词：Aluminum - Binding energy - Density functional theory - Doping (additives) - Electronic properties - Ionization potential
- 质疑
- 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
- 下载全文在线阅读质疑
- Structure and magnetic properties of La-doped Sin (n = 1-12, 24) clusters: A density functional theory investigation被引量：49收藏
- 作者：Cao, T.T. Feng, X.J. Zhao, L.X. Liang, X. Lei, Y.M. Luo, Y.H.
- 机构： Department of Physics
- 来源：European Physical Journal D 2008
- 关键词：Lanthanum - Crystal atomic structure - Density functional theory - Silicon nitride - Magnetic moments - Magnetic properties
- 质疑
- 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
- 质疑
- 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
- 质疑
- 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
- 下载全文在线阅读质疑
- Structural and electronic properties of LuSin (n=1-12) clusters: A density functional theory investigation被引量：36收藏
- 作者：Cao, Ting-Ting Zhao, Li-Xia Feng, Xiao-Juan Lei, Yong-Min Luo, You-Hua
- 机构：E China Univ Sci & Technol
- 来源：JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM 2009
- 关键词：LuSin clusters DFT Genetic algorithm Structures Electronic properties
- 质疑
- Structure and magnetic properties of La-doped Sin (n=1-12, 24) clusters: a density functional theory investigation被引量：33收藏
- 作者：Cao, T. T. Feng, X. J. Zhao, L. X. Liang, X. Lei, Y. M. Luo, Y. H.
- 机构：E China Univ Sci & Technol
- 来源：EUROPEAN PHYSICAL JOURNAL D 2008
- 质疑
- Theoretical prediction of structural and magnetic properties of small rhenium boride clusters Rem Bn (m = 1 - 3, n = 1 - 3 m)被引量：26收藏
- 作者：Feng, Xiao-Juan Zhao, Li-Xia Cao, Ting-Ting Lei, Yong-Min Luo, You-Hua
- 机构： Department of Physics
- 来源：Physica B: Condensed Matter 2008
- 关键词：Magnetic moments - Magnetic properties - Rhenium - Borides
- 质疑
- Density functional study of Al-doped Au clusters被引量：23收藏
- 作者：Zhao Li-Xia Feng Xiao-Juan Cao Ting-Ting Liang Xiao Luo You-Hua
- 机构：E China Univ Sci & Technol
- 来源：CHINESE PHYSICS B 2009
- 关键词：AunAl clusters equilibrium geometries electronic properties NBO analysis
- 下载全文在线阅读质疑
- Structural and electronic properties of Ren (n ≤ 8) clusters by density-functional theory被引量：22收藏
- 作者：Feng, X.J. Cao, T.T. Zhao, L.X. Lei, Y.M. Luo, Y.
- 机构： Department of Physics
- 来源：European Physical Journal D 2008
- 关键词：Electronic properties - Rhenium compounds - Electron affinity
- 质疑
- 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
- 质疑
- A theoretical study of neutral and anionic Au5Al clusters被引量：14收藏
- 作者：Zhao, Li-Xia Cao, Ting-Ting Feng, Xiao-Juan Xiao-Liang Lei, Yong-Min Luo, You-Hua
- 机构：E China Univ Sci & Technol
- 来源：JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM 2009
- 关键词：Density-functional theory Au5Al cluster Equilibrium geometric structures NBO analysis
- 质疑
- 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
- 质疑
- Theoretical study of structure and stability of BnO and BnO2被引量：10收藏
- 作者：Feng, Xiao-Juan Luo, You-Hua Liang, Xiao Zhao, Li-Xia Cao, Ting-Ting
- 机构：E China Univ Sci & Technol
- 来源：JOURNAL OF CLUSTER SCIENCE 2008
- 关键词：clusters density-functional theory structure stability
- 质疑
- Flexible band gap tuning of hexagonal boron nitride sheets interconnected by acetylenic bonds被引量：10收藏
- 作者：Zhang, Hongyu Luo, Youhua Feng, Xiaojuan Zhao, Lixia Zhang, Meng
- 机构：E China Univ Sci & Technol
- 来源：PHYSICAL CHEMISTRY CHEMICAL PHYSICS 2015
- 质疑
- Structural and electronic properties of Ren (n ≤ 8) clusters by density-functional theory被引量：9收藏
- 作者：Feng, X. J. Cao, T. T. Zhao, L. X. Lei, Y. M. Luo, Y.
- 机构：E China Univ Sci & Technol
- 来源：EUROPEAN PHYSICAL JOURNAL D 2008
- 质疑
- Exploring stability of 32-atom gold-silver mixed clusters被引量：8收藏
- 作者：Deng, Qing-Ming Zhao, Li-Xia Feng, Xiao-Juan Zhang, Meng Zhang, Wen-Li Fang, Bin Luo, You-Hua
- 机构：E China Univ Sci & Technol;E China Univ Sci & Technol;E China Univ Sci & Technol
- 来源：COMPUTATIONAL AND THEORETICAL CHEMISTRY 2011
- 关键词：Density functional theory Au32-nAgn (n=1 31) clusters Hollow cage-like configurations Space-filling structures
- 质疑
- Reply to "comment on 'tuning magnetic moments by 3d transition-metal-doped Au6 clusters'"被引量：8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
- 质疑
- Comparative study on the structure and properties of small Cn and NaCn clusters被引量：8收藏
- 作者：Liang, X. Luo, Y. -H. Feng, X. -J. Cao, T. T. Zhao, L. X.
- 机构：E China Univ Sci & Technol
- 来源：EUROPEAN PHYSICAL JOURNAL D 2008
- 质疑
- 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：7收藏
- 作者：Zhang Meng Feng Xiao-Juan Zhao Li-Xia Zhang Hong-Yu Luo You-Hua
- 机构：E China Univ Sci & Technol
- 来源：CHINESE PHYSICS B 2012
- 关键词：nanostructures gold fullerenes density functional theory
- 质疑
- Structural Growth Sequences and Electronic Properties of Lanthanum-Doped-Gold Clusters被引量：7收藏
- 作者：Zhao, Li-Xia Feng, Xiao-Juan Zhang, Meng Luo, You-Hua
- 机构：E China Univ Sci & Technol
- 来源：JOURNAL OF CLUSTER SCIENCE 2010
- 关键词：AunLa clusters Equilibrium geometry Electronic property Charge transfer
- 质疑
- A theoretical study of structures and chemical bonding of mixed clusters X3Y3H6 (X = B, Al, Ga, In Y = N, P, As, Sb)被引量：7收藏
- 作者：Feng, Xiao-Juan Zhang, Meng Zhao, Li-Xia Zhang, Hong-Yu Luo, You-Hua
- 机构：E China Univ Sci & Technol
- 来源：COMPUTATIONAL AND THEORETICAL CHEMISTRY 2014
- 关键词：X3Y3H6 clusters structures stability chemical bonding
- 质疑
- Density-functional investigation of 3d, 4d, 5d impurity doped Au6 clusters被引量：6收藏
- 作者：Zhang Meng Feng Xiao-Juan Zhao Li-Xia He Li-Ming Luo You-Hua
- 机构：E China Univ Sci & Technol
- 来源：CHINESE PHYSICS B 2010
- 关键词：density functional theory structural properties gold clusters
- 质疑
- Structural growth sequences and electronic properties of gold clusters: Highly symmetric tubelike cages被引量：6收藏
- 作者：Zhao, Li-Xia Lei, Yong-Min Zhang, Meng Feng, Xiao-Juan Luo, You-Hua
- 机构：E China Univ Sci & Technol
- 来源：PHYSICA B-CONDENSED MATTER 2009
- 关键词：Au-n clusters Equilibrium geometries Electronic properties
- 质疑
- Geometric structures and dipole moments of Pbn (n=13-18) clusters from ab initio quantum-chemical calculations被引量：5收藏
- 作者：Lei, Yong-Min Zhao, Li-Xia Feng, Xiao-Juan Zhang, Meng Luo, You-Hua
- 机构：E China Univ Sci & Technol
- 来源：JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM 2010
- 关键词：Pb-n clusters Geometric structures Dipole moment
- 质疑
- 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
- 质疑
