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兰州理工大学 [5]
金属研究所 [4]
合肥物质科学研究院 [4]
过程工程研究所 [1]
广州能源研究所 [1]
兰州化学物理研究所 [1]
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期刊论文 [16]
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2021 [16]
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Structure stability, electronic property and voltage profile of LiFe1−nNnP1−mM mO4 olivine cathode material
期刊论文
Rare Metals, 2021, 卷号: 40, 期号: 12, 页码: 3512-3519
作者:
Cui, Zhi-Hong
;
Lu, Xue-Feng
;
Luo, Jian-Hua
;
Guo, Xin
;
Xue, Hong-Tao
收藏
  |  
浏览/下载:19/0
  |  
提交时间:2022/02/17
Cathodes
Computation theory
Density functional theory
Electronic properties
Energy gap
Silicate minerals
Silicon
Stability
Charge density difference
Computational studies
Electrode material
Lithium Intercalation
N-type semiconductors
P type semiconductor
Structural stabilities
Structure stability
Surface passivation induced a significant enhancement of superconductivity in layered two-dimensional MSi2N4 (M = Ta and Nb) materials
期刊论文
NANOSCALE, 2021, 卷号: 13, 期号: 45, 页码: 18947-18954
作者:
Yan, Luo
;
Wang, Bao-Tian
;
Huang, Xingyong
;
Li, Qiaoqiao
;
Xue, Kui
收藏
  |  
浏览/下载:15/0
  |  
提交时间:2021/12/09
Probing the reaction mechanism of acetylene hydrochlorination on metal-free doped boron nitride: Decisive role of carbon dopant
期刊论文
APPLIED SURFACE SCIENCE, 2021, 卷号: 566, 页码: 7
作者:
Si, Chaowei
;
Lian, Zan
;
Yang, Min
;
Li, Bo
收藏
  |  
浏览/下载:30/0
  |  
提交时间:2021/11/22
Metal-free catalysis
Boron Nitride
DFT
Acetylene hydroclorination
Carbon doping
First-Principles Calculations of Electronic Structure and Optical Properties of Si-Doped and Vacancy beta-Ga2O3
期刊论文
CRYSTAL RESEARCH AND TECHNOLOGY, 2021, 卷号: 57, 期号: 1
作者:
Liu, Jifei
;
Gao, Shanshan
;
Li, Weixue
;
Dai, Jianfeng
;
Suo, Zhongqiang
收藏
  |  
浏览/下载:7/0
  |  
提交时间:2021/12/17
beta-Ga2O3
effective mass
electronic structure
generalized gradient approximation
Hubbard term
optical properties
Effect of microstructure and mechanical properties on the tribological and electrochemical performances of Si/DLC films under HCl corrosive environment
期刊论文
DIAMOND AND RELATED MATERIALS, 2021, 卷号: 116
作者:
Shang, Lunlin
;
Gou, Chengxue
;
Li, Wensheng
;
He, Dongqing
;
Wang, Shunhua
收藏
  |  
浏览/下载:7/0
  |  
提交时间:2021/10/14
Si
DLC films
Si concentration
HCl solution
Tribological performance
Electrochemical performance
Chiral charge density waves induced by Ti-doping in 1T-TaS2
期刊论文
APPLIED PHYSICS LETTERS, 2021, 卷号: 118
作者:
Gao, J. J.
;
Zhang, W. H.
;
Si, J. G.
;
Luo, X.
;
Yan, J.
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  |  
浏览/下载:19/0
  |  
提交时间:2021/09/06
Porous Carbon Nanosphere with Multiple Heteroatom Doping Derived from Silicon Oxycarbonitride as Sulfur Host for Lithium-Sulfur Batteries
期刊论文
ENERGY TECHNOLOGY, 2021, 页码: 9
作者:
Chen, Qingqing
;
Hu, Jinlong
;
Lu, Jiqun
;
Li, Youpeng
;
Zhang, Lingzhi
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  |  
浏览/下载:35/0
  |  
提交时间:2021/10/27
etching
lithium–
sulfur batteries
multiple heteroatom doping
porous carbon nanospheres
silicon oxycarbonitride
Realizing stable half-metallicity in zigzag silicene nanoribbons with edge dihydrogenation and chemical doping
期刊论文
Journal of Physics: Condensed Matter, 2021, 卷号: 33
作者:
Song,Lingling
;
Yang,Zhihong
;
Liu,Lu
;
Yuan,Liwei
;
Zhao,Han
收藏
  |  
浏览/下载:65/0
  |  
提交时间:2021/05/24
stable half-metallicity
edge dihydrogenation
silicene
edge state
electrostatic potential
A flexible and conductive connection introduced by cross-linked CNTs between submicron Si@C particles for better performance LIB anode
期刊论文
NANOSCALE ADVANCES, 2021, 卷号: 3, 期号: 8, 页码: 2287-2294
作者:
Zhou, Qiqi
;
Liu, Junhao
;
Gong, Xuzhong
;
Wang, Zhi
收藏
  |  
浏览/下载:23/0
  |  
提交时间:2021/08/31
Boosting electrocatalytic activity for CO2 reduction on nitrogen-doped carbon catalysts by co-doping with phosphorus
期刊论文
JOURNAL OF ENERGY CHEMISTRY, 2021, 卷号: 54, 页码: 143-150
作者:
Chen, Shuo
;
Liu, Tianfu
;
Olanrele, Samson O.
;
Lian, Zan
;
Si, Chaowei
收藏
  |  
浏览/下载:38/0
  |  
提交时间:2021/03/15
Metal-free catalyst
CO2 reduction
Co-doping, DFT
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