Ultrahigh Lithium Storage Capacity of Al2C Monolayer in a Restricted Multilayered Growth Mechanism

Research output: Journal Publications and Reviews (RGC: 21, 22, 62)21_Publication in refereed journalpeer-review

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Author(s)

  • Ning Lu
  • Kai Wang
  • Jiaxin Jiang
  • Hongyan Guo
  • Gui Zhong Zuo
  • Zhiwen Zhuo
  • Xiaojun Wu

Detail(s)

Original languageEnglish
Pages (from-to)35663-35672
Journal / PublicationACS Applied Materials & Interfaces
Volume14
Issue number31
Online published29 Jul 2022
Publication statusPublished - 10 Aug 2022
Externally publishedYes

Abstract

Designing anode materials with high lithium specific capacity is crucial to the development of high energy density lithium (ion) batteries. Herein, a distinctive lithium growth mechanism, namely, the restricted multilayered growth for lithium, and a strategy for lithium storage are proposed to achieve a balance between ultrahigh specific capacity and the need to avert uncontrolled dendritic growth of lithium. In particular, based on first-principles computation, we show that the Al2C monolayer with a planar tetracoordinate carbon structure can be an ideal platform for realizing the restricted multilayered growth mechanism as a two-dimensional (2D) anode material. Furthermore, the Al2C monolayer exhibits the ultrahigh specific capacity of lithium of 4059 mAh/g, yet with a low diffusion barrier of 0.039-0.17 eV and low open circuit voltage in the range of 0.002-0.34 V. These novel properties render the Al2C monolayer a promising anode material for future lithium (ion) batteries. Our study also offers a design of promising 2D anode materials with a high specific capacity, fast lithium-ion diffusion, and safe lithium storage.

Research Area(s)

  • two-dimensional functional material, lithium storage, anode material, lithium batteries, first-principles computation, GENERALIZED GRADIENT APPROXIMATION, PROMISING ANODE MATERIAL, LI ION BATTERIES, BUFFER LAYER, DIFFUSION, GRAPHENE, SILICON, ENERGY, PERFORMANCE, CAPABILITY

Citation Format(s)

Ultrahigh Lithium Storage Capacity of Al2C Monolayer in a Restricted Multilayered Growth Mechanism. / Lu, Ning; Wang, Kai; Jiang, Jiaxin et al.
In: ACS Applied Materials & Interfaces, Vol. 14, No. 31, 10.08.2022, p. 35663-35672.

Research output: Journal Publications and Reviews (RGC: 21, 22, 62)21_Publication in refereed journalpeer-review