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 …
Ab initio study of Li-shrouded Si-doped γ-Graphyne nanosheet as propitious anode in Li-ion batteries
Li-ion batteries (LIBs) have become a house-hold name in the energy-storage research
community in the wake of their noteworthy attributes. With increasing energy demands, the …
community in the wake of their noteworthy attributes. With increasing energy demands, the …
MoS2/C3N heterostructure: a promising anode material for Lithium-ion batteries
J He, Z Jiao - Applied Surface Science, 2022 - Elsevier
With the emerging of diverse two-dimensional materials, more and more heterostructures
composed of different two-dimensional materials are expected as potential candidates for …
composed of different two-dimensional materials are expected as potential candidates for …
Cu- and Al-Decorated Monolayer TiSe2 for Enhanced Gas Detection Sensitivity: A DFT Study
L **: A First‐Principles Study
Y Zhao, B Yan, X Liang, S Liu, X Shi… - physica status solidi …, 2023 - Wiley Online Library
Vacancy defects in two‐dimensional (2D) materials are critical to their properties. The
substitutional do** in vacancy defects by rare‐earth atoms results in diverse material …
substitutional do** in vacancy defects by rare‐earth atoms results in diverse material …
Tunable properties of two-dimensional bilayer C3N as anode material: Bandgap, binding energy, and diffusion barrier
Numerous studies have demonstrated that adjusting the stacking pattern of bilayer materials
can modulate their electrical properties. However, whether such adjustments can also …
can modulate their electrical properties. However, whether such adjustments can also …
First principles study on toxic gas adsorption of PtSe2/GaN heterostructure modified by Cu-group elements
Y Shen, H Liu, Q Zhang, Y Zhang, X Yang… - Applied Surface Science, 2024 - Elsevier
Monitoring and identifying toxic gases is essential due to their detrimental effects on human
health and the environment. Consequently, develo** high-efficiency sensors for the …
health and the environment. Consequently, develo** high-efficiency sensors for the …
Stack-dependent ion diffusion behavior in two-dimensional bilayer C 3 B
In recent years, two-dimensional (2D) C-based materials have been intensively studied due
to their excellent physicochemical properties. Meanwhile, extensive research has revealed …
to their excellent physicochemical properties. Meanwhile, extensive research has revealed …
Effects of Vacancies on the Structural, Elastic, Electronic and Thermodynamic Properties of C11b-VSi2 by First-Principles Calculations
S Xu, Y Duan, M Peng, L Shen - Metals, 2022 - mdpi.com
The effects of V and Si vacancies on structural stability, elastic properties, brittleness-
toughness transition, Debye temperature and electronic properties of tetragonal C11b-VSi2 …
toughness transition, Debye temperature and electronic properties of tetragonal C11b-VSi2 …
First-principles study of two-dimensional C-silicyne nanosheet as a promising anode material for rechargeable Li-ion batteries
Li-ion batteries are one of the sustainable alternatives to meet the growing energy demands
of an increasing population. However, finding a suitable negative electrode is key for …
of an increasing population. However, finding a suitable negative electrode is key for …