Application of two-dimensional materials as anodes for rechargeable metal-ion batteries: A comprehensive perspective from density functional theory simulations
Rechargeable lithium-ion batteries (LIBs) have been serving as one the most critical
components of fast growing technologies, such as the mobile electronic and electrified …
components of fast growing technologies, such as the mobile electronic and electrified …
Next generation 2D materials for anodes in battery applications
Abstract Two-dimensional (2D) materials, for instance, graphene/graphene derivatives,
transition metal-dichalcogenides (TMDs), and MXenes (eg transition metal carbides (TMCs) …
transition metal-dichalcogenides (TMDs), and MXenes (eg transition metal carbides (TMCs) …
Nitrogen and phosphorus dual-doped porous carbons for high-rate potassium ion batteries
X Ma, N **ao, J **ao, X Song, H Guo, Y Wang, S Zhao… - Carbon, 2021 - Elsevier
Pitch-based porous carbons with the abundant resources and high conductivity have
potential advantages as potassium-ion battery anode materials. However, they suffer from …
potential advantages as potassium-ion battery anode materials. However, they suffer from …
A theoretical approach on the possibility of using α-phographene, g-X3N4 nanosheets, and C19X fullerenes for adsorption and drug delivery of a proteasome inhibitor …
Bortezomib is a key agent for treatment of cancer; while, it is a very hazardous bioactive
substance (for healthy tissues). Therefore, delivering this drug to the targeted cancerous …
substance (for healthy tissues). Therefore, delivering this drug to the targeted cancerous …
Ca2C MXene monolayer as a superior anode for metal-ion batteries
Rechargeable batteries can effectively mitigate the increasing crisis associated with clean
energy storage technologies. The alkali metal-ion based rechargeable batteries require a …
energy storage technologies. The alkali metal-ion based rechargeable batteries require a …
Thgraphene: a novel two-dimensional carbon allotrope as a potential multifunctional material for electrochemical water splitting and potassium-ion batteries
With crystal structure prediction using a genetic algorithm method, we propose a novel two-
dimensional (2D) carbon allotrope with relatively low energy, which is composed of …
dimensional (2D) carbon allotrope with relatively low energy, which is composed of …
2-dimensional biphenylene monolayer as anode in Li ion secondary battery with high storage capacity: Acumen from density functional theory
Energy storage methods are cardinal for the mitigation of intermittency of renewable energy
and among many technologies available, Li-ion batteries (LIBs) dominate the market on the …
and among many technologies available, Li-ion batteries (LIBs) dominate the market on the …
Monolayer and bilayer siligraphenes as high-performance anode materials for potassium ion batteries: a first principles study
H Wang, Y Zhang, Y Zhao, G Bai, Y Xu, R **… - Journal of Molecular …, 2022 - Elsevier
Potassium ion batteries (PIBs) show great promise in the next-generation renewable energy
storage owing to the high energy density, earth abundance and low cost of potassium; …
storage owing to the high energy density, earth abundance and low cost of potassium; …
Two-Dimensional Boron–Phosphorus Monolayer for Reversible NO2 Gas Sensing
We proposed a boron–phosphorus monolayer (BP-ML) and investigated its gas sensing
properties by density functional theory including the van der Waals dispersion correction …
properties by density functional theory including the van der Waals dispersion correction …
Stone–Wales Defect Induced Performance Improvement of BC3 Monolayer for High Capacity Lithium-Ion Rechargeable Battery Anode Applications
First-principles density functional theory (DFT) computations were adopted to assess the
potential application of a boron carbide (BC3) monolayer with point and topological defects …
potential application of a boron carbide (BC3) monolayer with point and topological defects …