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北京大学 [18]
清华大学 [4]
兰州理工大学 [1]
西安交通大学 [1]
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期刊论文 [30]
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2018 [2]
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2015 [3]
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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
Crystal growth of Ge2Sb2Te5 at high temperatures
期刊论文
MRS Communications, 2018, 卷号: 8, 页码: 1018-1023
作者:
Ronneberger, I.
;
Zhang, W.
;
Mazzarello, R.
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浏览/下载:4/0
  |  
提交时间:2019/11/26
Ab initio molecular dynamics
Electronic storage devices
Finite size effect
High temperature
Metadynamics
State of the art
Storage-class memory
Temperature dependent behavior
Quantitative Interpretation of the Low-Bias Conductance of Au-Mesitylene-Au Molecular Junctions Formed from Mesitylene Monolayers
期刊论文
CHEMPHYSCHEM, 2016
Wang, Hao
;
Jiang, Zhuoling
;
Wang, Yongfeng
;
Sanvito, Stefano
;
Hou, Shimin
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  |  
浏览/下载:2/0
  |  
提交时间:2017/12/03
density functional theory
molecular junctions
molecule-substrate interaction
non-equilibrium green&apos
scanning tunneling microscopy
VACUUM LEVEL SHIFTS
METAL-SURFACES
ELECTRONIC TRANSPORT
SINGLE MOLECULES
DEVICES
1ST-PRINCIPLES
ADSORPTION
BENZENE
STATES
APPROXIMATION
s function
Origin of the periodic structure in the conductance curve of gold nanojunctions in hydrogen environment
期刊论文
PHYSICAL REVIEW B, 2016
Jiang, Zhuoling
;
Wang, Hao
;
Sanvito, Stefano
;
Hou, Shimin
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  |  
浏览/下载:4/0
  |  
提交时间:2017/12/03
MOLECULAR ELECTRONIC DEVICES
NANOWIRES
TRANSPORT
AU
IMPURITIES
AG
Graphene-DNAzyme junctions: a platform for direct metal ion detection with ultrahigh sensitivity
期刊论文
chemical science, 2015
Gao, Li
;
Li, Le-Le
;
Wang, Xiaolong
;
Wu, Peiwen
;
Cao, Yang
;
Liang, Bo
;
Li, Xin
;
Lin, Yuanwei
;
Lu, Yi
;
Guo, Xuefeng
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  |  
浏览/下载:4/0
  |  
提交时间:2015/11/10
MOLECULAR ELECTRONIC DEVICES
WALLED CARBON NANOTUBES
CATALYTIC BEACON SENSOR
IN-VITRO SELECTION
AQUEOUS-SOLUTION
FLUORESCENT SENSOR
LABEL-FREE
DNA
BIOSENSOR
PROTEINS
铜-真空-铜金属隧道结转变电压的理论研究
期刊论文
物理化学学报, 2015
白梅林
;
王明郎
;
侯士敏
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  |  
浏览/下载:5/0
  |  
提交时间:2017/12/03
真空隧穿
转变电压谱
电子输运
非平衡格林函数
密度泛函理论
Vacuum tunneling
Transition voltage spectroscopy
Electron transport
Non-equilibrium Green&apos
Density functional theory
MOLECULAR ELECTRONIC DEVICES
TRANSPORT
SPECTROSCOPY
CONDUCTANCE
WIRES
s function
Thickness-Dependent Air-Exposure-Induced Phase Transition of CuPc Ultrathin Films to Well-Ordered One-Dimensional Nanocrystals on Layered Substrates
期刊论文
JOURNAL OF PHYSICAL CHEMISTRY C, 2015, 卷号: 119, 期号: 8, 页码: 4217—4223
作者:
Zhang, L
;
Yang, YG
;
Huang, H
;
Lyu, L
;
Zhang, H
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  |  
浏览/下载:24/0
  |  
提交时间:2015/12/09
PHTHALOCYANINE THIN-FILMS
SCANNING-TUNNELING-MICROSCOPY
ORIENTED PYROLYTIC-GRAPHITE
COPPER-PHTHALOCYANINE
ORGANIC SEMICONDUCTORS
MOLECULAR-ORIENTATION
EPITAXIAL GRAPHENE
ELECTRONIC DEVICES
OPTICAL-PROPERTIES
GROWTH
Microscopic origin of the 1.3 G(0) conductance observed in oxygen-doped silver quantum point contacts
期刊论文
journal of chemical physics, 2014
Tu, Xingchen
;
Wang, Minglang
;
Sanvito, Stefano
;
Hou, Shimin
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2015/11/10
MOLECULAR ELECTRONIC DEVICES
TRANSPORT
JUNCTIONS
Colorless to Purple-Red Switching Electrochromic Anthraquinone Imides with Broad Visible/Near-IR Absorptions in the Radical Anion State: Simulation-Aided Molecular Design
期刊论文
chemistry an asian journal, 2013
Chen, Fengkun
;
Zhang, Jie
;
Jiang, Hong
;
Wan, Xinhua
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  |  
浏览/下载:2/0
  |  
提交时间:2015/11/10
anthraquinone imides
density functional calculations
substituent effects
molecular devices
near-infrared electrochromism
CHANNEL ORGANIC SEMICONDUCTORS
BANDGAP CONJUGATED POLYMER
NEAR-INFRARED SPECTRA
THIN-FILM TRANSISTORS
REDUCTION POTENTIALS
ELECTRONIC-STRUCTURE
PI-STACKS
COMPLEX
DYES
CHROMOPHORES
Conductance Switching and Mechanisms in Single-Molecule Junctions
期刊论文
angewandte chemie international edition, 2013
Jia, Chuancheng
;
Wang, Jinying
;
Yao, Changjiang
;
Cao, Yang
;
Zhong, Yuwu
;
Liu, Zhirong
;
Liu, Zhongfan
;
Guo, Xuefeng
收藏
  |  
浏览/下载:6/0
  |  
提交时间:2015/11/10
charge transfer
diarylethene compounds
graphene
molecular devices
optoelectronics
ELECTRONIC DEVICES
CHARGE-TRANSPORT
DIARYLETHENES
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