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科研机构
兰州理工大学 [29]
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期刊论文 [28]
会议论文 [1]
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2022 [2]
2021 [1]
2020 [2]
2019 [6]
2018 [1]
2017 [4]
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专题:兰州理工大学
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Effect of alloying elements on the interface of fcc-Fe/Ni3Al by first principle calculations
期刊论文
Computational Materials Science, 2022, 卷号: 214
作者:
Guo, Xin
;
Zhou, Jitian
;
Zhang, Xingxing
;
Yang, Ping
;
Ren, Junqiang
收藏
  |  
浏览/下载:29/0
  |  
提交时间:2022/09/22
Alloying
Atoms
Austenite
Calculations
Chemical bonds
Density functional theory
Electrons
Density diagram
Differential charge
First principle calculations
First principles
Heat-resistant steel
Interface energy
Interface property
Orbital electrons
Orbitals
Segregation
Unveiling passivation roles of PEA(+) in CsPbI2Br surface
期刊论文
CHEMICAL PHYSICS, 2022, 卷号: 562
作者:
Hu, Wei
;
Si, Fengjuan
;
Yang, Yutong
;
Xue, Hongtao
;
Li, Wensheng
收藏
  |  
浏览/下载:23/0
  |  
提交时间:2022/08/09
First-principles calculations
Perovskite solar cell
Surface states passivation
Selenium-doped carbon nanotubes/nickel selenide coaxial nanocables for energy storage
期刊论文
JOURNAL OF POWER SOURCES, 2021, 卷号: 514
作者:
Jin, Fangzhou
;
Li, Mingjie
;
Xie, Lixiang
;
Jiang, Jinlong
收藏
  |  
浏览/下载:13/0
  |  
提交时间:2021/12/17
Carbon nanotube
Nickel selenide
Coaxial nanocable
Supercapacitor
Lithium-ion battery
Effect of Co-Doping on the Stability of γ'-Ni3Al: A First-Principles Study
期刊论文
Xiyou Jinshu Cailiao Yu Gongcheng/Rare Metal Materials and Engineering, 2020, 卷号: 49, 期号: 8, 页码: 2746-2753
作者:
Li, Yamin
;
Chen, Yinping
;
Liu, Hongjun
收藏
  |  
浏览/下载:17/0
  |  
提交时间:2020/12/18
Atoms
Charge transfer
Chemical bonds
Density functional theory
Electronic density of states
Electrons
Fermi level
Heat treatment
Nickel compounds
Stability
Bonding characteristics
Bonding electrons
Density difference
First-principles density functional theory
First-principles study
Formation enthalpy
Orbital hybridization
Plane-wave pseudopotential method
Effect of Co-Doping on the Stability of gamma '-Ni3Al: A First-Principles Study
期刊论文
RARE METAL MATERIALS AND ENGINEERING, 2020, 卷号: 49, 期号: 8, 页码: 2746-2753
作者:
Li Yamin
;
Chen Yinping
;
Liu Hongjun
收藏
  |  
浏览/下载:12/0
  |  
提交时间:2022/03/01
first-principles
gamma ' phase
electronic structure
stability
Effects of vacancy on the electronic and optical properties of beta-Si3N4 by first-principles
期刊论文
MODERN PHYSICS LETTERS B, 2019, 卷号: 33, 期号: 36
作者:
Lu, Xuefeng
;
Luo, Jianhua
;
Yang, Panfeng
;
Ren, Junqiang
;
Guo, Xin
收藏
  |  
浏览/下载:9/0
  |  
提交时间:2020/06/02
beta-Si3N4
first principles
vacancy
electronic structure
optical properties
Effects of co-doping on electronic structure and optical properties of 3C-SiC from first-principles method
期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2019, 卷号: 170
作者:
Lu, Xuefeng
;
Zhao, Tingting
;
Lei, Qingfeng
;
Yan, Xiaobin
;
Ren, Junqiang
收藏
  |  
浏览/下载:11/0
  |  
提交时间:2020/06/02
3C-SiC
First principles
Co-doping
Electronic structure
Optical properties
Tailoring nitrogen content in doped carbon by a facile synthesis with ionic liquid precursors for lithium ion batteries
期刊论文
APPLIED SURFACE SCIENCE, 2019, 卷号: 494, 页码: 532-539
作者:
Xiao, Mingjun
;
Meng, Yanshuang
;
Li, Yuzhu
;
Liu, Xinglian
;
Ke, Xinyou
收藏
  |  
浏览/下载:11/0
  |  
提交时间:2019/11/15
Nitrogen-doped carbon
Ionic liquids
Anode materials
Lithium ion batteries
Density functional theory capture of electronic structures and optical properties of vacancy doped 3C-SiC systems
期刊论文
MATERIALS RESEARCH EXPRESS, 2019, 卷号: 6, 期号: 11
作者:
Lu, Xuefeng
;
Yang, Panfeng
;
Luo, Jianhua
;
Guo, Xin
;
Ren, Junqiang
收藏
  |  
浏览/下载:9/0
  |  
提交时间:2020/06/02
3C-SiC
electronic structures
optical properties
vacancy doping
first-principles simulations
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:14/0
  |  
提交时间:2019/11/15
first principles simulations
4H-SiC
electronic structure
optical properties
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