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上海应用物理研究所 [15]
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Systematic analysis for triple points in all magnetic symmorphic systems and symmetry-allowed coexistence of Dirac points and triple points
期刊论文
NEW JOURNAL OF PHYSICS, 2018, 卷号: 20, 页码: 14
作者:
Cheung, Chi-Ho
;
Xiao, R. C.
;
Hsu, Ming-Chien
;
Fuh, Huei-Ru
;
Lin, Yeu-Chung
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浏览/下载:76/0
  |  
提交时间:2019/12/25
topological materials
Dirac fermions
electronic structure
Weyl fermions
topological phase transition
triple points
The electronic structures and excitation properties of three meso-pentafluorophenyl substituted zinc porphyrin–fullerene dyad
期刊论文
Journal of Molecular Structure, 2018, 卷号: 1173, 页码: 398-405
作者:
Lu, Xiao-Juan
;
Zhang, Cai-Rong
;
Shen, Yu-Lin
;
Wu, You-Zhi
;
Liu, Zi-Jiang
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浏览/下载:0/0
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提交时间:2020/11/14
Charge transfer
Electronic structure
Excited states
Fullerenes
Geometry
Molecular orbitals
Optoelectronic devices
Porphyrins
Structural properties
Zinc
Highest occupied molecular orbital
Lowest unoccupied molecular orbital
Optoelectronic properties
Partial delocalization
Porphyrin fullerenes
Synergistic enhancement
Time dependent density functional theory
Transient intermediate
Theoretical study of charge-transport and optical properties of indeno[1,2-b] fluorene-6,12-dione-based semiconducting materials
期刊论文
ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE CRYSTAL ENGINEERING AND MATERIALS, 2018, 卷号: 74, 页码: 705-711
作者:
Cheng, Shi-Bo
;
Huang, Jin-Dou
;
Zhao, Jinfeng
;
Yu, Kun
;
Huang, Xiaohua
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  |  
浏览/下载:37/0
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提交时间:2019/06/20
indeno[1,2-b] fluorene-6,12-dione-based molecules
intrinsic hole mobility
intrinsic electron mobility
electronic spectra
density functional theory (DFT)
structure-function relationship
Theoretical study of charge-transport and optical properties of indeno[1,2-b] fluorene-6,12-dione-based semiconducting materials
期刊论文
Acta crystallographica section b-structural science crystal engineering and materials, 2018, 卷号: 74, 页码: 705-711
作者:
Huang, Jin-Dou
;
Zhao, Jinfeng
;
Yu, Kun
;
Huang, Xiaohua
;
Cheng, Shi-Bo
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  |  
浏览/下载:64/0
  |  
提交时间:2019/05/08
Indeno[1,2-b] fluorene-6,12-dione-based molecules
Intrinsic hole mobility
Intrinsic electron mobility
Electronic spectra
Density functional theory (dft)
Structure-function relationship
Turning Carbon Atoms into Highly Active Oxygen Reduction Reaction Electrocatalytic Sites in Nitrogen-Doped Graphene-Coated Co@Ag
期刊论文
ACS SUSTAINABLE CHEMISTRY & ENGINEERING, 2018, 卷号: 6, 期号: 11, 页码: 14033-14041
作者:
Li, Mengsi
;
Wang, Changlai
;
Yang, Yang
;
Jiang, Peng
;
Lin, Zhiyu
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浏览/下载:41/0
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提交时间:2019/01/11
Metal-organic frameworks
Oxygen reduction reaction
Electron transfer
Co core/Ag mantle structure
Tuning electronic structure
Kinetics and mechanisms of the formation of chlorinated and oxygenated polycyclic aromatic hydrocarbons during chlorination
期刊论文
CHEMICAL ENGINEERING JOURNAL, 2018, 卷号: 351, 页码: 248-257
作者:
Wei, Zongsu
;
Wang, Donghong
;
Wang, Zijian
;
Li, Qiang
;
Fu, Thomas
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  |  
浏览/下载:39/0
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提交时间:2019/06/24
Disinfection
Chlorinated PAH
Oxygenated PAH
Electronic structure theory
"Tailor-made" reference compounds
Structural stability and electronic properties of the (0001) inversion domain boundary in III-nitrides
期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2018, 卷号: 154, 页码: 152-158
作者:
Li, Siqian
;
Lei, Huaping
;
Anglade, Pierre-Matthieu
;
Chen, Jun
;
Ruterana, Pierre
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  |  
浏览/下载:44/0
  |  
提交时间:2019/12/20
Inversion domain boundary (IDB)
Group III-nitrides
DFT
Chemical bonding
Electronic structure
Synthesis and theoretical study of large-sized Bi4Ti3O12 square nanosheets with high photocatalytic activity
期刊论文
MATERIALS RESEARCH BULLETIN, 2018, 卷号: 107, 页码: 180-188
作者:
Zhao, Xinxin
;
Yang, Hua
;
Li, Shuaihu
;
Cui, Ziming
;
Zhang, Cairong
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  |  
浏览/下载:9/0
  |  
提交时间:2019/11/15
Bi4Ti3O12 nanosheets
Photocatalytic activity
Photocatalytic mechanism
Electronic structure
Surface energy
Theoretical study of electronic structure and optical properties of tin doped CuS counter electrode for dye-sensitized solar cells
期刊论文
SOLAR ENERGY, 2018, 卷号: 171, 页码: 871-875
作者:
Yin, Jianbo
;
Lu, Xuefeng
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  |  
浏览/下载:18/0
  |  
提交时间:2019/11/15
First principles
Counter electrode
Electronic structure
Optical properties
Magnetic-Bottle and Velocity-Map Imaging Photoelectron Spectroscopy of APS(-) (A=C14H10 or Anthracene): Electron Structure, Spin-Orbit Coupling of APS(center dot), and Dipole-Bound State of APS(-)
期刊论文
CHINESE JOURNAL OF CHEMICAL PHYSICS, 2018, 卷号: 31, 期号: 4, 页码: 463-470
作者:
Cummins, Christopher C.
;
Govind, Niranjan
;
Wang, Xue-Bin
;
Yuan, Qin-qin
;
Yang, Zheng
收藏
  |  
浏览/下载:31/0
  |  
提交时间:2019/06/20
Dibenzo-7-phosphanorbornadiene P-sulfide
Electronic structure
Spin-orbit coupling
Dipole-bound state
VMI photoelectron spectroscopy
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