4.7 Article

2D-VN2 MXene as a novel anode material for Li, Na and K ion batteries: Insights from the first-principles calculations

期刊

JOURNAL OF COLLOID AND INTERFACE SCIENCE
卷 593, 期 -, 页码 51-58

出版社

ACADEMIC PRESS INC ELSEVIER SCIENCE
DOI: 10.1016/j.jcis.2021.03.018

关键词

2D-VN2; First principles; High capacity; Alkali-metal ion storage

资金

  1. Preeminence Youth Science Funds of Zhejiang Province [LR19F050001]
  2. Zhejiang province university students in scientific and technological innovation activities [2016R409011]
  3. Science and technology project of Zhejiang Province [2016C33026]
  4. National Key Research and Development Program project [2017YFD040800]
  5. National Demonstration Base for Micro/nanofabrication & Optoelectronic Detection
  6. International Science and Technology Cooperation

向作者/读者索取更多资源

The study demonstrates that 2D-VN2 exhibits high stability and can provide high capacities in Li, Na, and K ion batteries, along with metallic properties and high electrical conductivity, indicating good performance.
Developing two-dimensional (2D) materials as anode materials have been proved a promising approach to significantly improve the charge storage performances of alkali metal ion. Herein, we investigate mono-layered VN2 as an anode material in Li, Na and K ion batteries. Firstly, the high stability of 2D-VN2 has been demonstrated via calculating the phonon spectra. 2D-VN2 is capable of delivering high capacities of 678.8, 339.4 and 1357.6 mAh g(-1) in Li+, K+ and Na+ storage, respectively. In addition, the metallic properties and corresponding high electrical conductivity and low diffusion barriers of 201.1 meV for Li atoms, 34.7 meV for K atoms and 84.1 meV for Na atoms on VN2 surface, indicating good capacity and the superior rate performances of alkali metal atoms migration on VN2. The calculated average voltage of Li, Na and K are respectively 0.81 V, 0.29 V and 0.77 V, suggesting a promising voltage behavior compared with other 2D materials. (C) 2021 Elsevier Inc. All rights reserved.

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