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

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 Li2xV4C3 and Na2xV4C3 (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 Li0.0625V4C3 and 0.023 eV for Na0.0625V4C3, 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.

Nonlinear Absorption and Refraction Properties of V4C3 MXene and its Use for an Ultra‐Broadband Saturable Absorber

“…The atomic structure dimensions of V 4 C 3 MXene used for the electronic band structure were 2.92 × 2.92 × 22.81 Å, and the V-C bond lengths is 2.095 Å. [51,55] For the geometry optimization of Brillouin Zone integration, a Monkhorst-Pack k-point grid of 10 × 10 × 1 was used. [62] The thickness of the vacuum layer between adjacent V 4 C 3 MXene was set as 20 Å in the DFT calculations to prevent forces between atoms and layers such as Van der Waals force.…”

“…As a member of TMC MXenes, V 4 C 3 , has recently been developed and exploited as an anode material for Li-ion batteries and Na-ion batteries due to its high interlayer spacing, excellent structural durability, and high specific capacity. [51] Furthermore, V 4 C 3 MXene has been used as the electrode of supercapacitors due to its fascinating electrochemical performance. [52] Recently, it was reported that the electromagnetic wave absorption property of V 4 C 3 MXene is superior to that of other types of MXenes, in particular at X-band (8)(9)(10)(11)(12).…”

Reasonable Design of MXene-Supported Dual-Atom Catalysts with High Catalytic Activity for Hydrogen Evolution and Oxygen Evolution Reaction: A First-Principles Investigation

“…Since MXenes was discovered in 2011 [ 12 ], a new family of two-dimensional (2D) material rich in early-transition metal carbides, nitrides, or carbonitrides, it has attracted enormous interest in the field of electrocatalysis due to its large specific surface area, high stability, and excellent electronic and thermal conductivity [ 13 , 14 , 15 , 16 , 17 , 18 , 19 , 20 , 21 ]. MXenes can generally be synthesized by selective removal of the layer of A elements from its parent phase MAX using various methods.…”

Ultrasound-assisted synthesis of graphene@MXene hybrid: A novel and promising material for electrochemical sensing

“…Two-dimensional (2D) materials, including graphene, black phosphorus (BP), transition metal dichalcogenides (TMDs), layered double hydroxides (LDHs), transition metal carbides and nitrides (MXenes) have attracted extensive attention of the scientific community for their unique chemical and physical property [1] , [2] , [3] , [4] , [5] , [6] , [7] . Among these 2D materials, MXenes have aroused huge research upsurge in terms of the synthesis and application since its first discovery in 2011 by Yury Gogotsi [8] , [9] , [10] , [11] . In general, MXenes are prepared from its layered ternary MAX phase by selective etching the A elements (group III or IV), and the obtained products were denoted as M n+1 X n T x , where M represents Ti, V, Nb, and Mo, x represents C and/or N, n = 1, 2, or 3, and T x stands for the surface functional group (OH, O, and/or F) [12] .…”