Exploring the potential of MB 4 (M= Cr, Mo, and W) MBenes as high-capacity anode materials for Ca-ion batteries: a DFT approach

MK Masood, J Wang, J Song, Y Liu - Journal of Materials Chemistry A, 2024 - pubs.rsc.org
Two-dimensional MBene monolayers can be used in rechargeable metal-ion batteries
because of their layered structure, abundant accommodating sites and high specific surface …

2D dumbbell silicene as a high storage capacity and fast ion diffusion anode for Li-ion batteries

DD Vargas, GL Cardoso, PC Piquini… - … Applied Materials & …, 2022 - ACS Publications
First-principles calculations within DFT have been performed to investigate the use of a
recently synthesized form of silicene, the dumbbell (DB) silicene as an anode material for Li …

Theoretical prediction of stable WB4 monolayer as a high-capacity anode material for alkali-metal ion batteries

MK Masood, K Liu, J Wang, J Song, Y Liu - Journal of Physics and …, 2024 - Elsevier
As a rapidly evolving 2D monolayer material, tungsten tetraboride MBene exhibits innate
advantages in electrochemical applications because of its unique graphene-like structure …

A novel two-dimensional whorled CrB4 and MoB4 as high-performance anode material for metal ion batteries

MK Masood, J Wang, J Song, Y Liu - Applied Surface Science, 2024 - Elsevier
Finding high-storage-capacity anode materials has been a focus of ion-battery research.
Two-dimensional (2D) materials have shown promise as high-performance electrode …

Superionic conductivity and large capacitance behaviors of two-metal MXenes WCrC in sodium ion battery

M Zhou, Y Shen, JJ Liu, LL Lv, X Gao, Y Zhang… - Vacuum, 2022 - Elsevier
Sodium-ion batteries have attracted much attention because of their intrinsic safety and high
abundance of sodium, but the lack of high-performance anode materials becomes a major …

Intralayer ordered structure engineering for long-life Mn-based potassium-ion battery cathodes

H Zhou, Y Bai, C Yang, C Guo, F Liu, P Hu… - Chemical Engineering …, 2024 - Elsevier
Mn-based layered oxides have become one of the most promising cathode materials in
potassium-ion batteries (PIBs) due to their high theoretical specific capacity. Nonetheless …

Computational evaluation of ScB and TiB MBenes as promising anode materials for high-performance metal-ion batteries

Y Li, T Zhao, L Li, R Huang, Y Wen - Physical Review Materials, 2022 - APS
Emerging as a new family of two-dimensional materials, transition-metal borides, namely
MBenes, are expected to possess outstanding physical and chemical properties owing to …

Tuning the adsorption and diffusion capabilities of titanium disulfide monolayers by do** and strain engineering: Implications for lithium-ion batteries

AK Nair, CM Da Silva, CH Amon - Applied Surface Science, 2022 - Elsevier
Do** and strain engineering are effective tuning approaches for improving the
electrochemical performance of materials in batteries and catalytic applications. This work …

Single Au atom supported defect mediated boron nitride monolayer as an efficient catalyst for acetylene hydrochlorination: A first principles study

S Ali, M Haneef, J Akbar, I Ullah, S Ullah, A Samad - Molecular Catalysis, 2021 - Elsevier
Hexagonal boron nitride (hBN) with defects shows remarkable performance as catalyst
support for single-atom stabilization in several catalytic reactions, such as CO oxidation, N 2 …

A novel two-dimensional monolayer MB4 (M= Cr, Mo, W) MBenes as a high-performance anode material for Mg-ion batteries

MK Masood, J Wang, J Song, Y Liu - Journal of Energy Storage, 2024 - Elsevier
Rechargeable magnesium-ion batteries have garnered with great interest because
abundant resources of magnesium and their potential for achieving high energy density …