Boron Nitride-Based Nanomaterials: Synthesis and Application in Rechargeable Batteries
Conventional boron nitride material is a resistant refractory compound of boron and nitrogen
with various crystalline forms. The hexagonal form, which corresponds to graphite, is used …
with various crystalline forms. The hexagonal form, which corresponds to graphite, is used …
DFT practice in MXene-based materials for electrocatalysis and energy storage: From basics to applications
The recent progress of DFT in MXene based materials used for electrocatalysis and energy
storage is summarized. Combined with machine learning, the electronic properties of …
storage is summarized. Combined with machine learning, the electronic properties of …
TiC3 Monolayer with High Specific Capacity for Sodium-Ion Batteries
Sodium-ion batteries (SIBs) have attracted considerable attention due to the intrinsic safety
and high abundance of sodium. However, the lack of high-performance anode materials …
and high abundance of sodium. However, the lack of high-performance anode materials …
SiC 3 N 3 monolayer as a universal anode for alkali metal-ion batteries
X Xia, J Wu, X Cai, B Liu, Z Wang, Y Zhang… - Dalton …, 2023 - pubs.rsc.org
Our density functional theory calculations show that silicon doping in g-CN (SiC3N3) can
improve the electrochemical performance of g-CN as an anode of alkali metal-ion batteries …
improve the electrochemical performance of g-CN as an anode of alkali metal-ion batteries …
Light metal decorated graphene-like Si2BN monolayers as hydrogen storage media: A DFT investigation
The hydrogen storage properties of an alkali metal (Li, Na, K) or alkaline earth metal (Be,
Mg, Ca) decorated Si 2 BN monolayer were studied based on first-principles calculations …
Mg, Ca) decorated Si 2 BN monolayer were studied based on first-principles calculations …
Two-dimensional α-SiX (X= N, P) monolayers as efficient anode material for Li-ion batteries: A first-principles study
Density functional theory simulations were performed to investigate the structural, electronic,
and electrochemical properties of the two-dimensional α-SiX (X= N, P) monolayers as anode …
and electrochemical properties of the two-dimensional α-SiX (X= N, P) monolayers as anode …
Modelling high-performing batteries with Mxenes: The case of S-functionalized two-dimensional nitride Mxene electrode
Recent upsurge in the two-dimensional (2D) materials have established their larger role on
energy storage applications. To this end, Mxene represent a new paradigm extending …
energy storage applications. To this end, Mxene represent a new paradigm extending …
Ab initio prediction of two-dimensional Si 3 C enabling high specific capacity as an anode material for Li/Na/K-ion batteries
Y Wang, Y Li - Journal of Materials Chemistry A, 2020 - pubs.rsc.org
Anode materials that possess similar electronic structures but larger lattice parameters in
comparison with graphene usually show higher theoretical specific capacities for Li/Na/K-ion …
comparison with graphene usually show higher theoretical specific capacities for Li/Na/K-ion …
TiNX (X= F, Cl) monolayer as potential anode materials for Li/Na-ion batteries applications
M Wang, Y Wu, S Sun, X Ye - Journal of Energy Storage, 2024 - Elsevier
In this manuscript, we have investigated the ion storage performance of TiNX (X= F, Cl)
monolayer as anode materials for Li/Na-ion batteries with density functional theory. The …
monolayer as anode materials for Li/Na-ion batteries with density functional theory. The …
Two-Dimensional GeP3 as a High Capacity Anode Material for Non-Lithium-Ion Batteries
X Deng, X Chen, Y Huang, B Xiao… - The Journal of Physical …, 2019 - ACS Publications
Utilization of non-lithium-ion batteries in next-generation renewable energy storage is
hindered by the lack of appropriate electrode materials with desired electrochemical …
hindered by the lack of appropriate electrode materials with desired electrochemical …