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author:

Peng, Qiong (Peng, Qiong.) [1] | Hu, Kangming (Hu, Kangming.) [2] | Sa, Baisheng (Sa, Baisheng.) [3] (Scholars:萨百晟) | Zhou, Jian (Zhou, Jian.) [4] | Wu, Bo (Wu, Bo.) [5] (Scholars:吴波) | Hou, Xianhua (Hou, Xianhua.) [6] | Sun, Zhimei (Sun, Zhimei.) [7]

Indexed by:

EI Scopus SCIE CSCD

Abstract:

Recently, flexible electrodes with biaxial/omnidirectional stretchability have attracted significant attention. However, most existing pliable electrode materials can be only stretched in one direction. In this work, an unexpected isotropic van der Waals (vdW) heterostructure is proposed, based on the assembly of two-dimensional crystals of anisotropic black phosphorene (BP) and transition metal carbide (TiC2). Using vdW-corrected density functional theory calculations, the BP/TiC2 vdW heterostructure was predicted to have excellent structural and mechanical stability, superior electrical conductivity, omnidirectional flexibility, and a high Li storage capacity. We have unraveled the physical origin of the excellent stability, as well as the Li adsorption preferences of the lithiated heterostructure, based on a three-step analysis of the stability of the Li-adsorption processes. In addition, the BP/TiC2 vdW heterostructure can also be applied as the anode material for flexible Na-ion batteries because of its high Na storage capacity and strong Na binding. However, compared with Na adsorption, the capacity is higher, and the adsorption energy is more negative for Li adsorption. Our findings provide valuable insights into the exploration of a rich variety of vdW heterostructures for next-generation flexible energy storage devices.

Keyword:

first-principles calculations flexible anode Li adsorption omnidirectional stretchability van der Waals heterostructure

Community:

  • [ 1 ] [Peng, Qiong]Fuzhou Univ, Coll Mat Sci & Engn, Multiscale Computat Mat Facil, Fuzhou 350100, Fujian, Peoples R China
  • [ 2 ] [Hu, Kangming]Fuzhou Univ, Coll Mat Sci & Engn, Multiscale Computat Mat Facil, Fuzhou 350100, Fujian, Peoples R China
  • [ 3 ] [Sa, Baisheng]Fuzhou Univ, Coll Mat Sci & Engn, Multiscale Computat Mat Facil, Fuzhou 350100, Fujian, Peoples R China
  • [ 4 ] [Wu, Bo]Fuzhou Univ, Coll Mat Sci & Engn, Multiscale Computat Mat Facil, Fuzhou 350100, Fujian, Peoples R China
  • [ 5 ] [Peng, Qiong]Fujian Prov Univ, Fuzhou Univ, Key Lab Ecomat Adv Technol, Fuzhou 350100, Fujian, Peoples R China
  • [ 6 ] [Hu, Kangming]Fujian Prov Univ, Fuzhou Univ, Key Lab Ecomat Adv Technol, Fuzhou 350100, Fujian, Peoples R China
  • [ 7 ] [Sa, Baisheng]Fujian Prov Univ, Fuzhou Univ, Key Lab Ecomat Adv Technol, Fuzhou 350100, Fujian, Peoples R China
  • [ 8 ] [Wu, Bo]Fujian Prov Univ, Fuzhou Univ, Key Lab Ecomat Adv Technol, Fuzhou 350100, Fujian, Peoples R China
  • [ 9 ] [Sa, Baisheng]Beihang Univ, Sch Mat Sci & Engn, Beijing 100191, Peoples R China
  • [ 10 ] [Zhou, Jian]Beihang Univ, Sch Mat Sci & Engn, Beijing 100191, Peoples R China
  • [ 11 ] [Sun, Zhimei]Beihang Univ, Sch Mat Sci & Engn, Beijing 100191, Peoples R China
  • [ 12 ] [Sa, Baisheng]Beihang Univ, Ctr Integrated Computat Mat Engn, Int Res Inst Multidisciplinary Sci, Beijing 100191, Peoples R China
  • [ 13 ] [Zhou, Jian]Beihang Univ, Ctr Integrated Computat Mat Engn, Int Res Inst Multidisciplinary Sci, Beijing 100191, Peoples R China
  • [ 14 ] [Sun, Zhimei]Beihang Univ, Ctr Integrated Computat Mat Engn, Int Res Inst Multidisciplinary Sci, Beijing 100191, Peoples R China
  • [ 15 ] [Hou, Xianhua]South China Normal Univ, Sch Phys & Telecommun Engn, Guangdong Engn Technol Res Ctr Efficient Green En, Guangzhou 510006, Guangdong, Peoples R China

Reprint 's Address:

  • 萨百晟 吴波

    [Sa, Baisheng]Fuzhou Univ, Coll Mat Sci & Engn, Multiscale Computat Mat Facil, Fuzhou 350100, Fujian, Peoples R China;;[Wu, Bo]Fuzhou Univ, Coll Mat Sci & Engn, Multiscale Computat Mat Facil, Fuzhou 350100, Fujian, Peoples R China;;[Sa, Baisheng]Fujian Prov Univ, Fuzhou Univ, Key Lab Ecomat Adv Technol, Fuzhou 350100, Fujian, Peoples R China;;[Wu, Bo]Fujian Prov Univ, Fuzhou Univ, Key Lab Ecomat Adv Technol, Fuzhou 350100, Fujian, Peoples R China;;[Sa, Baisheng]Beihang Univ, Sch Mat Sci & Engn, Beijing 100191, Peoples R China;;[Sun, Zhimei]Beihang Univ, Sch Mat Sci & Engn, Beijing 100191, Peoples R China;;[Sa, Baisheng]Beihang Univ, Ctr Integrated Computat Mat Engn, Int Res Inst Multidisciplinary Sci, Beijing 100191, Peoples R China;;[Sun, Zhimei]Beihang Univ, Ctr Integrated Computat Mat Engn, Int Res Inst Multidisciplinary Sci, Beijing 100191, Peoples R China

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Source :

NANO RESEARCH

ISSN: 1998-0124

Year: 2017

Issue: 9

Volume: 10

Page: 3136-3150

7 . 9 9 4

JCR@2017

9 . 6 0 0

JCR@2023

ESI Discipline: PHYSICS;

ESI HC Threshold:170

JCR Journal Grade:1

CAS Journal Grade:2

Cited Count:

WoS CC Cited Count: 77

SCOPUS Cited Count: 77

ESI Highly Cited Papers on the List: 0 Unfold All

WanFang Cited Count:

Chinese Cited Count:

30 Days PV: 3

Online/Total:168/10000458
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