Recent advances in density functional theory approach for optoelectronics properties of graphene

AL Olatomiwa, T Adam, CO Edet, AA Adewale, A Chik… - Heliyon, 2023 - cell.com
Graphene has received tremendous attention among diverse 2D materials because of its
remarkable properties. Its emergence over the last two decades gave a new and distinct …

Borophene potential for developing next-generation battery applications: a comprehensive review

N Ashraf, Y Abghoui - Energy & Fuels, 2023 - ACS Publications
This Review explores the tremendous potential of borophene in revolutionizing the
landscape of next-generation batteries. As the demand for high performance energy storage …

First-Principles Study of FeB2 Monolayers as High-Capacity Electrode Materials for Mg-Ion Batteries

S Luo, J Zhao, Y Wang, Y Zhang, Y Xiong… - The Journal of …, 2023 - ACS Publications
Rechargeable Mg-ion batteries (MIBs) have attracted extensive attention due to the
abundance of magnesium resources and huge superiority in energy density. But the lack of …

Insights on advanced g‐C3N4 in energy storage: Applications, challenges, and future

X Yang, J Peng, L Zhao, H Zhang, J Li, P Yu… - Carbon …, 2024 - Wiley Online Library
Graphitic carbon nitride (g‐C3N4) is a highly recognized two‐dimensional semiconductor
material known for its exceptional chemical and physical stability, environmental …

Novel Ultra‐Stable 2D SbBi Alloy Structure with Precise Regulation Ratio Enables Long‐Stable Potassium/Lithium‐Ion Storage

X Liu, X Wang, Y Zhou, B Wang, L Zhao… - Advanced …, 2024 - Wiley Online Library
The inferior cycling stabilities or low capacities of 2D Sb or Bi limit their applications in high‐
capacity and long‐stability potassium/lithium‐ion batteries (PIBs/LIBs). Therefore, integrating …

Computational verification of conductive Be2Zn monolayer as a superior anode for alkali and alkaline ion batteries

HY Liu, ZY Wang - Chemical Engineering Journal, 2023 - Elsevier
Availability of high-performance anode materials remains a great challenge for the clean
energy storage systems. Here, we predict the planar hexacoordinate Be 2 Zn monolayer by …

Architectural design of anode materials for superior alkali-ion (Li/Na/K) batteries storage

A Ghahari, H Raissi - Scientific Reports, 2024 - nature.com
Developing high-performance anode materials remains a significant challenge for clean
energy storage systems. Herein, we investigated the (MXene/MoSe2@ C) heterostructure …

Nonmetal‐Mediated Atomic Spalling of Large‐Area Monolayer Transition Metal Dichalcogenide

S Kim, SI Kim, S Ghods, JS Kim, YC Lee… - Small …, 2023 - Wiley Online Library
Transition metal dichalcogenides (TMDCs) have attracted intense interest; however, despite
the considerable effort of researchers, a universal manufacturing method that can guarantee …

Vertical heterojunction photodetector of In2Se3/PtS2 with high polarization sensitivity and tunable electronic characteristics

Y Wang, Z Cui, C Zhang - Materials Today Communications, 2024 - Elsevier
A monolayer In 2 Se 3 root number model was used with a monolayer PtS 2 material 2× 2× 1
cell expansion to form an In 2 Se 3/PtS 2 bilayer with a lattice mismatch of 3.12%. Utilizing …

Exploration of the two-dimensional transition metal phosphide MoP2 as anode for Na/K ion batteries

J Jin, U Schwingenschlögl - npj 2D Materials and Applications, 2024 - nature.com
Transition metal phosphides are regarded to be potential anode materials for alkali metal
ion batteries with abundant availability of the constituent elements. However, the volume …