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科研机构
兰州理工大学 [20]
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期刊论文 [20]
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2021 [2]
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2019 [2]
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专题:兰州理工大学
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Formamidinium dopant effects on double perovskite Cs2AgBiBr6
期刊论文
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 2021, 卷号: 122, 期号: 4
作者:
Zhang, Cai-Rong
;
Chen, Hong
;
Liu, Zi-Jiang
;
Zhang, Mei-Ling
;
Wang, Wei
收藏
  |  
浏览/下载:9/0
  |  
提交时间:2021/12/17
charge carrier mobility
doping
double perovskite Cs2AgBiBr6
electronic structures
formamidinium
Vacancy defects on optoelectronic properties of double perovskite Cs2AgBiBr6
期刊论文
Materials Science in Semiconductor Processing, 2021, 卷号: 123
作者:
Chen, Hong
;
Zhang, Cai-Rong
;
Liu, Zi-Jiang
;
Gong, Ji-Jun
;
Wang, Wei
收藏
  |  
浏览/下载:2/0
  |  
提交时间:2021/03/02
Binding energy
Bismuth compounds
Cesium compounds
Crystal atomic structure
Defects
Density functional theory
Electronic structure
Energy gap
Excitons
Light absorption
Perovskite
Red Shift
Silver compounds
Absorption capability
Double perovskites
Exciton-binding energy
Low energy regions
Optoelectronic properties
Slight deformations
Supercell model
Vacancy effects
Electric field effects on organic photovoltaic heterojunction interfaces: The model case of pentacene/C-60
期刊论文
COMPUTATIONAL AND THEORETICAL CHEMISTRY, 2020, 卷号: 1186
作者:
Bai, Rui-Rong
;
Zhang, Cai-Rong
;
Liu, Zi-Jiang
;
Chen, Xian-Kai
;
Wu, You-Zhi
收藏
  |  
浏览/下载:9/0
  |  
提交时间:2022/03/01
Electric field
Electronic structure
Excitation
Heterojunction interface
Organic photovoltaic
Density functional theory study on the electronic structures and related properties of Ag-doped CH3NH3PbI3 perovskite
期刊论文
RESULTS IN PHYSICS, 2019, 卷号: 15
作者:
Xu, Zi-Wei
;
Zhang, Cai-Rong
;
Wu, You-Zhi
;
Gong, Ji-Jun
;
Wang, Wei
收藏
  |  
浏览/下载:10/0
  |  
提交时间:2022/03/01
Density functional theory
Electronic structures
Perovskite CH3NH3PbI3
Doping
The bis-dimethylfluoreneaniline organic dye sensitizers for solar cells: A theoretical study and design
期刊论文
JOURNAL OF MOLECULAR GRAPHICS & MODELLING, 2019, 卷号: 88, 页码: 23-31
作者:
Zhang, Cai-Rong
;
Zhang, Yang
;
Li, Xing-Yu
;
Wang, Wei
;
Gong, Ji-Jun
收藏
  |  
浏览/下载:4/0
  |  
提交时间:2019/11/15
Organic dye sensitizers
Molecular design
Dye sensitized solar cells
Density functional theory
Assessment of Ab Initio and Density Functional Theory Methods for the Excitations of Donor-Acceptor Complexes: The Case of the Benzene-Tetracyanoethylene Model
期刊论文
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, 2018, 卷号: 19, 期号: 4
作者:
Xu, Peng
;
Zhang, Cai-Rong
;
Wang, Wei
;
Gong, Ji-Jun
;
Liu, Zi-Jiang
收藏
  |  
浏览/下载:7/0
  |  
提交时间:2019/11/15
excited states
ab initio
density functional theory
donor-acceptor complexes
charge transfer
Density functional theory study of alpha-cyanoacrylic acid adsorbed on rutile TiO2(110) surface
期刊论文
COMPUTATIONAL AND THEORETICAL CHEMISTRY, 2016, 卷号: 1095, 页码: 125-133
作者:
Zhang, Yang
;
Zhang, Cai-Rong
;
Wang, Wei
;
Gong, Ji-Jun
;
Liu, Zi-Jiang
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2019/11/15
Surface adsorption
Rutile TiO2
Cyanoacrylic acid
Electronic structure
Density functional theory
Atomistic simulation of the structural and elastic properties of magnesite
期刊论文
BULLETIN OF MATERIALS SCIENCE, 2016, 卷号: 39, 期号: 5, 页码: 1319-1325
作者:
Liu, Zi-Jiang
;
Sun, Xiao-Wei
;
Song, Ting
;
Guo, Yuan
;
Zhang, Cai-Rong
收藏
  |  
浏览/下载:0/0
  |  
提交时间:2019/11/15
Magnesite
structural property
elastic property
high pressure
The Role of Porphyrin-Free-Base in the Electronic Structures and Related Properties of N-Fused Carbazole-Zinc Porphyrin Dye Sensitizers
期刊论文
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, 2015, 卷号: 16, 期号: 11, 页码: 27707-27720
作者:
Li, Xing-Yu
;
Zhang, Cai-Rong
;
Wu, You-Zhi
;
Zhang, Hai-Min
;
Wang, Wei
收藏
  |  
浏览/下载:4/0
  |  
提交时间:2019/11/15
porphyrin derivatives
dye sensitizers
electronic structures
excited state
density functional theory
Understanding the Electronic Structures and Absorption Properties of Porphyrin Sensitizers YD2 and YD2-o-C8 for Dye-Sensitized Solar Cells
期刊论文
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, 2013, 卷号: 14, 期号: 10, 页码: 20171-20188
作者:
Han, Li-Heng
;
Zhang, Cai-Rong
;
Zhe, Jian-Wu
;
Jin, Neng-Zhi
;
Shen, Yu-Lin
收藏
  |  
浏览/下载:7/0
  |  
提交时间:2019/11/15
porphyrin dye sensitizers
excited states
electronic structures
density functional theory
absorption spectra
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