Lithium Functionalization in a Three-Dimensional Graphene Monolith for Enhanced Adsorption–Desorption Hydrogen Storage

M EL Kassaoui, M Loulidi, A Benyoussef… - The Journal of …, 2024 - ACS Publications
Three-dimensional (3D) carbon allotropes have been extensively researched for their
potential new applications in batteries, gas separation, and electronic devices. Therefore …

Anchoring of K and Na on the surface of a novel SiC monolayer: First-principles predictions

Q Peng, J Rehman, M Ullah, AM Tighezza… - Journal of Energy …, 2024 - Elsevier
Potassium-ion batteries (KIBs) and Sodium-ion batteries (SIBs) are highly promising next-
generation energy storage technologies, thanks to their abundant resources, low cost, and …

[HTML][HTML] Evaluating the potential of planar checkerboard lattice Cu2N monolayer as anode material for lithium and sodium-ion batteries using first-principles methods

A Sufyan, M Sajjad, JA Larsson - Applied Surface Science, 2024 - Elsevier
We present first-principles insights into the electrical and electrochemical properties of Cu 2
N, a newly synthesized two-dimensional material that features a planar, checkerboard lattice …

Rational design of 3D porous phosphorus-carbide with excellent optical performance and energy storage application

U Younis, F Qayyum, A Hassan, N Singh… - Journal of Power …, 2024 - Elsevier
Materials composed of phosphorus and carbon are intensely explored for various
applications due to their rich abundance and lighter masses. Inspired by the recent …

Hydrogen Adsorption on Type-5 Penta-MgN8 Sheet, Nanotube, and 3D Porous Structure

AH Ati, PH Du, MM Obeid, J Cheng… - ACS Applied Materials & …, 2024 - ACS Publications
Motivated by the recent report on penta-MgN8 sheet [Mater. Today Phys. 2023, 38, 101259]
that is the first realization of type-5 pentagonal 2D tessellation with exposed regularly …

DFT and AIMD studies of SnFe2O4 as a promising anode for Li-ion batteries

SA Bahadou, Z Mansouri, A Al-Shami… - Journal of Physics and …, 2025 - Elsevier
Abstract Tin ferrite (SnFe 2 O 4) is considered as a perspective lithium ion battery anode,
owing to its low cost, large theoretical capacity, low toxicity, structural stability, and easy …

V4C3 MXene: a Type‐II Nodal Line Semimetal with Potential as High‐Performing Anode Material for Mg‐Ion Battery

A Sufyan, G Abbas, M Sajjad, JA Larsson - ChemSusChem, 2024 - Wiley Online Library
We have used density functional theory simulations to explore the topological characteristics
of a new MXene‐like material, V4C3, and its oxide counterpart, assessing their potential as …

Fluorinated boron nitride nanosheet as a high-performance electrode material for ion batteries via first-principles calculations

X Li, F Sun, H Yan, Y Wang, Y Liang, F Wu - Journal of Physics and …, 2024 - Elsevier
Developing promising two-dimensional (2D) electrode for ion battery with excellent
performances has attracted extensive attention in recent years. Hexagonal boron nitride …

Three new 7Tri-SiC polymorphs with innovation form and excellent stability: First-principles calculation

H Liu, Y Yang, M Xing, Q Fan - Journal of Physics and Chemistry of Solids, 2024 - Elsevier
Third generation semiconductor represented by silicon carbide provides more space for
further improving the performance of power electronic devices. In particular, 4H–SiC has …

Construction of conductive PTh-promoted NaTi2 (PO4) 3 nanocomposite with two-electron reactions for sodium energy storage

Y Zuo, D Huang, Z Zuo - Solid State Ionics, 2024 - Elsevier
As a new negative material for sodium-ion batteries, NaTi 2 (PO 4) 3 has received great
attention because of its excellent safety, abundant natural resources, low toxicity and two …