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大连化学物理研究所 [11]
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兰州理工大学 [7]
上海应用物理研究所 [6]
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期刊论文 [60]
学位论文 [1]
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2018 [61]
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Chemistry [2]
Materials ... [2]
Nanoscienc... [2]
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Boosting solid- state flexible supercapacitors by employing tailored hierarchical carbon electrodes and a high- voltage organic gel electrolyte
期刊论文
JOURNAL OF MATERIALS CHEMISTRY A, 2018, 卷号: 6, 期号: 48, 页码: 24979-24987
作者:
Liu, Wenhao
;
Wang, Kai
;
Li, Chen
;
Zhang, Xiong
;
Sun, Xianzhong
收藏
  |  
浏览/下载:4/0
  |  
提交时间:2021/02/02
Incorporation of Cu-N-x cofactors into graphene encapsulated Co as biomimetic electrocatalysts for efficient oxygen reduction
期刊论文
NANOSCALE, 2018, 卷号: 10, 期号: 45, 页码: 21076-21086
作者:
Yang, Yang
;
Wang, Changlai
;
Gao, Shiqi
;
Mao, Kaitian
;
Xia, Guoliang
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  |  
浏览/下载:11/0
  |  
提交时间:2019/12/25
Why the lowest electronic excitations of rhodamines are overestimated by time-dependent density functional theory
期刊论文
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 2018, 卷号: 118, 期号: 23, 页码: 11
作者:
Zhou, Panwang
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  |  
浏览/下载:24/0
  |  
提交时间:2019/06/20
ADC(2)
cyanine dyes
rhodamine dyes
TDDFT
XMCQDPT2
Why the lowest electronic excitations of rhodamines are overestimated by time-dependent density functional theory
期刊论文
International journal of quantum chemistry, 2018, 卷号: 118, 期号: 23, 页码: 11
作者:
Zhou, Panwang
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  |  
浏览/下载:40/0
  |  
提交时间:2019/05/08
Adc(2)
Cyanine dyes
Rhodamine dyes
Tddft
Xmcqdpt2
The electronic structures and excitation properties of three mesopentafluorophenyl 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:9/0
  |  
提交时间:2019/11/15
Porphyrin fullerene dyad
Electronic structures
Excited states
Density functional theory
Time dependent density functional theory
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
  |  
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
Correlation-driven Lifshitz transition in electron-doped iron selenides (Li,Fe)OHFeSe
期刊论文
PHYSICAL REVIEW B, 2018, 卷号: 98, 期号: 19, 页码: 10
作者:
Liu, Da-Yong
;
Sun, Zhe
;
Lu, Feng
;
Wang, Wei-Hua
;
Zou, Liang-Jian
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  |  
浏览/下载:21/0
  |  
提交时间:2019/12/25
Rationally designing mixed Cu-(mu-O)-M (M = Cu, Ag, Zn, Au) centers over zeolite materials with high catalytic activity towards methane activation
期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2018, 卷号: 20, 期号: 41, 页码: 26522-26531
作者:
Zheng, Anmin
;
Zhou, Jian
;
Chen, Wei
;
Huang, Ling
;
Wang, Guiru
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  |  
浏览/下载:29/0
  |  
提交时间:2018/12/03
Theoretical insights into the ESIPT process for pi-conjugated benzimidazole compounds
期刊论文
JOURNAL OF PHYSICAL ORGANIC CHEMISTRY, 2018, 卷号: 31, 期号: 11, 页码: 7
作者:
Wang, Yusheng
;
Yang, Guang
;
Yang, Dapeng
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  |  
浏览/下载:12/0
  |  
提交时间:2019/06/20
electronic spectra
frontier molecular orbital
potential energy curves
TDDFT
First principles investigations of the structural, electrical and optical properties of iron-doped zinc oxide (0001) surfaces
期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2018, 卷号: 154, 页码: 435-441
作者:
Cheng, Jingsi
;
Wang, Ping
;
Hua, Chao
;
Yang, Yintang
;
Zhang, Zhiyong
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  |  
浏览/下载:35/0
  |  
提交时间:2018/11/02
Zno
First Principles
Iron
Surface
Optical Properties
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