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author:

Zou, Xiulin (Zou, Xiulin.) [1] | Huang, Yuchen (Huang, Yuchen.) [2] | Chen, Yueping (Chen, Yueping.) [3] | Cai, Chenglin (Cai, Chenglin.) [4] | Qiu, Mei (Qiu, Mei.) [5] | Zhang, Yongfan (Zhang, Yongfan.) [6] (Scholars:章永凡) | Zhu, Jia (Zhu, Jia.) [7]

Indexed by:

EI Scopus SCIE

Abstract:

Blue phosphorene has triggered enormous research effort as an anode for Li-ion batteries due to its large surface and high capacity. However, its application is hindered by poor electrical conductivity, mechanical properties and mobility. Graphdiyne exhibits excellent mechanical properties and high storage capacity but low Li-ion mobility. Herein, we designed blue phosphorene/graphdiyne (BlueP/GDY) heterostructure as a potential anode material for LIB based on denstity functional theory. We demonstrated that BlueP/GDY heterostructure exhibits good thermodynamics stability and enhanced elastic stiffness (Young's modulus is 215.9 N/m), which can effectively avoid electrode cracking and pulverization. Synergistic effect between BlueP and GDY significantly enhanced binding strength of Li for composite compared with isolated BlueP and GDY. The transition of semiconducting to metallic induced by Li intercalation suggested better metallic conductivity for fast electron transport. Furthermore, BlueP/GDY heterostructure delivers high theoretical specific capacity (761.76 mA center dot h center dot g(-1)) and rather small Li-ion diffusion energy barriers (0.11 eV), which is estimated to be 105 times faster than that on isolated BlueP and GDY at room temperature, indicating excellent rate performance for BlueP/GDY anode. Therefore, it is expected that BlueP/GDY heterostructure has great potential in LIBs with excellent mechanical stability, good electrical conductivity, high capacity and fast Li-ion mobility.

Keyword:

Anode Blue phosphorene/graphdiyne heterostructure First-principle Lithium-ion batteries

Community:

  • [ 1 ] [Zou, Xiulin]Jiangxi Normal Univ, Coll Chem & Chem Engn, Key Lab Fluorine & Silicon Energy Mat & Chem, Minist Educ, Nanchang 330022, Peoples R China
  • [ 2 ] [Huang, Yuchen]Jiangxi Normal Univ, Coll Chem & Chem Engn, Key Lab Fluorine & Silicon Energy Mat & Chem, Minist Educ, Nanchang 330022, Peoples R China
  • [ 3 ] [Chen, Yueping]Jiangxi Normal Univ, Coll Chem & Chem Engn, Key Lab Fluorine & Silicon Energy Mat & Chem, Minist Educ, Nanchang 330022, Peoples R China
  • [ 4 ] [Cai, Chenglin]Jiangxi Normal Univ, Coll Chem & Chem Engn, Key Lab Fluorine & Silicon Energy Mat & Chem, Minist Educ, Nanchang 330022, Peoples R China
  • [ 5 ] [Zhu, Jia]Jiangxi Normal Univ, Coll Chem & Chem Engn, Key Lab Fluorine & Silicon Energy Mat & Chem, Minist Educ, Nanchang 330022, Peoples R China
  • [ 6 ] [Zou, Xiulin]Jiangxi Normal Univ, Nanofiber Engn Ctr Jiangxi Prov, Nanchang 330022, Peoples R China
  • [ 7 ] [Huang, Yuchen]Jiangxi Normal Univ, Nanofiber Engn Ctr Jiangxi Prov, Nanchang 330022, Peoples R China
  • [ 8 ] [Chen, Yueping]Jiangxi Normal Univ, Nanofiber Engn Ctr Jiangxi Prov, Nanchang 330022, Peoples R China
  • [ 9 ] [Cai, Chenglin]Jiangxi Normal Univ, Nanofiber Engn Ctr Jiangxi Prov, Nanchang 330022, Peoples R China
  • [ 10 ] [Zhu, Jia]Jiangxi Normal Univ, Nanofiber Engn Ctr Jiangxi Prov, Nanchang 330022, Peoples R China
  • [ 11 ] [Qiu, Mei]Jiangxi Agr Univ, Coll Chem & Mat, Nanchang 330045, Peoples R China
  • [ 12 ] [Zhang, Yongfan]Fuzhou Univ, Coll Chem, Fuzhou 350108, Fujian, Peoples R China

Reprint 's Address:

  • [Zhu, Jia]Jiangxi Normal Univ, Coll Chem & Chem Engn, Key Lab Fluorine & Silicon Energy Mat & Chem, Minist Educ, Nanchang 330022, Peoples R China;;[Zhu, Jia]Jiangxi Normal Univ, Nanofiber Engn Ctr Jiangxi Prov, Nanchang 330022, Peoples R China;;[Qiu, Mei]Jiangxi Agr Univ, Coll Chem & Mat, Nanchang 330045, Peoples R China;;

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Source :

APPLIED SURFACE SCIENCE

ISSN: 0169-4332

Year: 2023

Volume: 614

6 . 3

JCR@2023

6 . 3 0 0

JCR@2023

ESI Discipline: MATERIALS SCIENCE;

ESI HC Threshold:49

JCR Journal Grade:1

CAS Journal Grade:2

Cited Count:

WoS CC Cited Count: 6

SCOPUS Cited Count: 8

ESI Highly Cited Papers on the List: 0 Unfold All

WanFang Cited Count:

Chinese Cited Count:

30 Days PV: 2

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