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大连化学物理研究所 [4]
化学研究所 [3]
上海应用物理研究所 [3]
厦门大学 [2]
兰州理工大学 [2]
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期刊论文 [21]
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Exploring the Adsorption Mechanism of Tetracene on Ag(110) by STM and Dispersion-Corrected DFT
期刊论文
CRYSTALS, 2020, 卷号: 10, 期号: 1, 页码: -
作者:
Liang, ZF
;
Tian, QW
;
Zhang, H
;
Hu, JP
;
He, PM
收藏
  |  
浏览/下载:69/0
  |  
提交时间:2021/09/06
THIN-FILMS
TRANSISTORS
GROWTH
PENTACENE
Electronic structures and optical properties of Ni-doped 4H-SiC: dispersion-corrected density functional theory investigations
期刊论文
MATERIALS RESEARCH EXPRESS, 2019, 卷号: 6, 期号: 9
作者:
Lu, Xuefeng
;
Zhao, Tingting
;
Guo, Xin
;
Chen, Meng
;
Ren, Junqiang
收藏
  |  
浏览/下载:21/0
  |  
提交时间:2019/11/15
first principles simulations
4H-SiC
electronic structure
optical properties
The mechanism and activity of oxygen reduction reaction on single atom doped graphene: a DFT method
期刊论文
RSC ADVANCES, 2019, 卷号: 9, 期号: 13, 页码: 7086-7093
作者:
Zhang, Xiaoming
;
Xia, Zhangxun
;
Li, Huanqiao
;
Yu, Shansheng
;
Wang, Suli
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  |  
浏览/下载:46/0
  |  
提交时间:2019/06/20
The mechanism and activity of oxygen reduction reaction on single atom doped graphene: a dft method
期刊论文
Rsc advances, 2019, 卷号: 9, 期号: 13, 页码: 7086-7093
作者:
Zhang, Xiaoming
;
Xia, Zhangxun
;
Li, Huanqiao
;
Yu, Shansheng
;
Wang, Suli
收藏
  |  
浏览/下载:50/0
  |  
提交时间:2019/05/08
Electronic structures and optical properties of Ni-doped 4H-SiC: Dispersion-corrected density functional theory investigations
期刊论文
Materials Research Express, 2019, 卷号: 6, 期号: 9
作者:
Lu, Xuefeng
;
Zhao, Tingting
;
Guo, Xin
;
Chen, Meng
;
Ren, Junqiang
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  |  
浏览/下载:0/0
  |  
提交时间:2020/11/14
Chemical bonds
Dielectric losses
Dielectric materials
Electronic structure
Nickel compounds
Optical properties
Pollution
Silicon
Silicon carbide
Silicon compounds
Absorbing materials
Bonding energies
Charge density difference
Dispersion-corrected density functional
Electro magnetic pollution
Formation energies
Ni-doped
Static dielectric constants
Compression behavior and spectroscopic properties of insensitive explosive 1,3,5-triamino-2,4,6-trinitrobenzene from dispersion-corrected density functional theory
期刊论文
CHINESE PHYSICS B, 2018, 卷号: 27
作者:
Su, Yan
;
Fan, Junyu
;
Zheng, Zhaoyang
;
Zhao, Jijun
;
Song, Huajie
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  |  
浏览/下载:15/0
  |  
提交时间:2019/12/02
1,3,5-triamino-2,4,6-trinitrobenzene
high-pressure behavior
molecular conformation
Raman spectra
Direct observation of noble metal nanoparticles transforming to thermally stable single atoms
期刊论文
NATURE NANOTECHNOLOGY, 2018, 卷号: 13, 期号: 9, 页码: 856-861
作者:
Cheong, WC
;
Wang, Y
;
Zheng, LR
;
Xiao, H
;
Chen, C
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  |  
浏览/下载:105/0
  |  
提交时间:2019/09/24
Direct observation of noble metal nanoparticles transforming to thermally stable single atoms
期刊论文
NATURE NANOTECHNOLOGY, 2018, 卷号: 13, 期号: 9, 页码: 856-+
作者:
Wei, SJ
;
Li, A
;
Liu, JC
;
Li, Z
;
Chen, WX
收藏
  |  
浏览/下载:18/0
  |  
提交时间:2019/12/17
OXYGEN REDUCTION REACTION
SELECTIVE HYDROGENATION
CO OXIDATION
CATALYSTS
GOLD
OXIDE
CERIA
DESIGN
ELECTROCATALYST
NANOSTRUCTURES
Ionization spectroscopies and theoretical calculations of cis and trans 3-fluoro-N-methylaniline-Ar-n(n=1,2) van der Waals clusters: Structures and binding energies
期刊论文
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 2017, 卷号: 183, 页码: 177-186
作者:
Zhang, Lijuan
;
Li, Dazhi
;
Cheng, Min
;
Du, Yikui
;
Zhu, Qihe
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  |  
浏览/下载:21/0
  |  
提交时间:2018/04/10
3-fluoro-n-methylaniline
Ar Cluster
Rempi
Mati
Binding Energy
Dft-d
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