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作者:

Guo, Gen-Cai (Guo, Gen-Cai.) | Wang, Ru-Zhi (Wang, Ru-Zhi.) (学者:王如志) | Ming, Bang-Ming (Ming, Bang-Ming.) | Wang, Changhao (Wang, Changhao.) | Luo, Si-Wei (Luo, Si-Wei.) | Zhang, Ming (Zhang, Ming.) | Yan, Hui (Yan, Hui.)

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EI Scopus SCIE

摘要:

C3N has attracted much attention as an anode material for lithium-ion (Li-ion) batteries, owing to its excellent mechanical and electronic properties. However, its weak Li adsorption strength and mobility have limited its further application. Phosphorene (P) exhibits a high bonding strength with Li and excellent Li-ion mobility, but low stiffness. Thus, we propose that constructing a C3N/P hybrid material will not only negate the deficiency of C3N but also result in a new high performance electrode material. A C3N/P heterostructure is constructed and studied by first-principles calculations. This heterostructure exhibits an excellent stiffness (Young's modulus is 448.32 N m(-1)), which is even better than that of graphene. The bonding strength of Li inserted into the intralayer of the C3N/P heterostructure (1.78-2.02 eV) is much higher than that in pristine monolayer C3N (0.32 eV) and phosphorene (1.67 eV). Moreover, the C3N/P heterostructure shows a high capacity of 468.34 mA h g(-1), and better conductivities of electricity and ions than pristine monolayer C3N. The excellent mechanical properties, high capacity, good conductivities of electrons and ions and moderately high bonding energy indicate that the C3N/P heterostructure is a promising anode material for lithium-ion batteries.

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作者机构:

  • [ 1 ] [Guo, Gen-Cai]Beijing Univ Technol, Coll Mat Sci & Engn, Beijing 100124, Peoples R China
  • [ 2 ] [Wang, Ru-Zhi]Beijing Univ Technol, Coll Mat Sci & Engn, Beijing 100124, Peoples R China
  • [ 3 ] [Ming, Bang-Ming]Beijing Univ Technol, Coll Mat Sci & Engn, Beijing 100124, Peoples R China
  • [ 4 ] [Wang, Changhao]Beijing Univ Technol, Coll Mat Sci & Engn, Beijing 100124, Peoples R China
  • [ 5 ] [Luo, Si-Wei]Beijing Univ Technol, Coll Mat Sci & Engn, Beijing 100124, Peoples R China
  • [ 6 ] [Zhang, Ming]Beijing Univ Technol, Coll Mat Sci & Engn, Beijing 100124, Peoples R China
  • [ 7 ] [Yan, Hui]Beijing Univ Technol, Coll Mat Sci & Engn, Beijing 100124, Peoples R China
  • [ 8 ] [Guo, Gen-Cai]Beijing Univ Technol, Educ Minist China, Key Lab Adv Funct Mat, Beijing 100124, Peoples R China
  • [ 9 ] [Wang, Ru-Zhi]Beijing Univ Technol, Educ Minist China, Key Lab Adv Funct Mat, Beijing 100124, Peoples R China
  • [ 10 ] [Ming, Bang-Ming]Beijing Univ Technol, Educ Minist China, Key Lab Adv Funct Mat, Beijing 100124, Peoples R China
  • [ 11 ] [Wang, Changhao]Beijing Univ Technol, Educ Minist China, Key Lab Adv Funct Mat, Beijing 100124, Peoples R China
  • [ 12 ] [Luo, Si-Wei]Beijing Univ Technol, Educ Minist China, Key Lab Adv Funct Mat, Beijing 100124, Peoples R China
  • [ 13 ] [Zhang, Ming]Beijing Univ Technol, Educ Minist China, Key Lab Adv Funct Mat, Beijing 100124, Peoples R China
  • [ 14 ] [Yan, Hui]Beijing Univ Technol, Educ Minist China, Key Lab Adv Funct Mat, Beijing 100124, Peoples R China

通讯作者信息:

  • 王如志

    [Wang, Ru-Zhi]Beijing Univ Technol, Coll Mat Sci & Engn, Beijing 100124, Peoples R China;;[Wang, Ru-Zhi]Beijing Univ Technol, Educ Minist China, Key Lab Adv Funct Mat, Beijing 100124, Peoples R China

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来源 :

JOURNAL OF MATERIALS CHEMISTRY A

ISSN: 2050-7488

年份: 2019

期: 5

卷: 7

页码: 2106-2113

1 1 . 9 0 0

JCR@2022

ESI学科: MATERIALS SCIENCE;

ESI高被引阀值:211

JCR分区:1

被引次数:

WoS核心集被引频次: 94

SCOPUS被引频次: 95

ESI高被引论文在榜: 0 展开所有

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中文被引频次:

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