Vanadium Carbide (V4C3) MXene as an Efficient Anode for Li-Ion and Na-Ion Batteries

Qiong Peng; Javed Rehman; Kamel Eid; Ayman S Alofi; Amel Laref; Munirah D Albaqami; Reham Ghazi Alotabi; Mohamed F Shibl

doi:10.3390/nano12162825

Vanadium Carbide (V₄C₃) MXene as an Efficient Anode for Li-Ion and Na-Ion Batteries

Nanomaterials (Basel). 2022 Aug 17;12(16):2825. doi: 10.3390/nano12162825.

Authors

Qiong Peng¹, Javed Rehman², Kamel Eid³, Ayman S Alofi⁴, Amel Laref⁵, Munirah D Albaqami⁶, Reham Ghazi Alotabi⁶, Mohamed F Shibl⁷

Affiliations

¹ Institution of Condensed Physics & College of Physics and Electronics Engineering, Hengyang Normal University, Hengyang 421002, China.
² Department of Physics, Balochistan University of Information Technology, Engineering and Management Sciences (BUITEMS), Quetta 87300, Baluchistan, Pakistan.
³ Gas Processing Center (G.P.C.), College of Engineering, Qatar University, Doha 2713, Qatar.
⁴ Physics Department, College of Science, Taibah University, Medina 42353, Saudi Arabia.
⁵ Department of Physics and Astronomy, College of Science, King Saud University, Riyadh 11451, Saudi Arabia.
⁶ Chemistry Department, College of Science, King Saud University, Riyadh 11451, Saudi Arabia.
⁷ Center for Sustainable Development, College of Arts and Sciences, Qatar University, Doha 2713, Qatar.

Abstract

Li-ion batteries (LIBs) and Na-ion batteries (SIBs) are deemed green and efficient electrochemical energy storage and generation devices; meanwhile, acquiring a competent anode remains a serious challenge. Herein, the density-functional theory (DFT) was employed to investigate the performance of V₄C₃ MXene as an anode for LIBs and SIBs. The results predict the outstanding electrical conductivity when Li/Na is loaded on V₄C₃. Both Li_2xV₄C₃ and Na_2xV₄C₃ (x = 0.125, 0.5, 1, 1.5, and 2) showed expected low-average open-circuit voltages of 0.38 V and 0.14 V, respectively, along with a good Li/Na storage capacity of (223 mAhg^-1) and a good cycling performance. Furthermore, there was a low diffusion barrier of 0.048 eV for Li_0.0625V₄C₃ and 0.023 eV for Na_0.0625V₄C₃, implying the prompt intercalation/extraction of Li/Na. Based on the findings of the current study, V₄C₃-based materials may be utilized as an anode for Li/Na-ion batteries in future applications.

Keywords: DFT; Li-ion battery; MXene; Na-ion battery; V4C3; electrochemical energy storage.

Grants and funding

PNURSP2022R61/Princess Nourah bint Abdulrahman University