Theoretical investigations of hydrogen gas sensing and storage capacity of graphene-based materials: A review
M Singla, N Jaggi - Sensors and Actuators A: Physical, 2021 - Elsevier
Excessive usage of fossil fuel energy in recent years has prompted the development of an
alternative fuel with potential to meet energy requirements. Hydrogen has emerged as one …
alternative fuel with potential to meet energy requirements. Hydrogen has emerged as one …
Density functional theory-based approaches to improving hydrogen storage in graphene-based materials
Various technologies have been developed for the safe and efficient storage of hydrogen.
Hydrogen storage in its solid form is an attractive option to overcome challenges such as …
Hydrogen storage in its solid form is an attractive option to overcome challenges such as …
Reversible hydrogen storage in metal-decorated honeycomb borophene oxide
Two-dimensional (2D) boron-based materials are receiving much attention as H2 storage
media due to the low atomic mass of boron and the stability of decorating alkali metals on …
media due to the low atomic mass of boron and the stability of decorating alkali metals on …
Differences in the structure and functionalities of graphene oxide and reduced graphene oxide obtained from graphite with various degrees of graphitization
I Bychko, A Abakumov, O Didenko, M Chen… - Journal of Physics and …, 2022 - Elsevier
Reduced graphene oxide (rGrO) is a promising graphene derivative that attracts attention
due to its unique properties. The well-established route to obtain rGrO is a reduction of …
due to its unique properties. The well-established route to obtain rGrO is a reduction of …
Hydrogen storage capacity and reversibility of Li-decorated B4CN3 monolayer revealed by first-principles calculations
This work explored the feasibility of Li decoration on the B 4 CN 3 monolayer for hydrogen
(H 2) storage performance using first-principles calculations. The results of density functional …
(H 2) storage performance using first-principles calculations. The results of density functional …
Macroscale superlubricity and durability of in situ grown hydrogenated graphene coatings
Although macroscale superlubricity reduces the friction of graphene materials, industrial
application has been limited to special environments or complex strain engineering. Herein …
application has been limited to special environments or complex strain engineering. Herein …
Application of robust machine learning methods to modeling hydrogen solubility in hydrocarbon fuels
MR Mohammadi, F Hadavimoghaddam… - International Journal of …, 2022 - Elsevier
Having accurate information about the hydrogen solubility in hydrocarbon fuels and
feedstocks is very important in petroleum refineries and coal processing plants. In the …
feedstocks is very important in petroleum refineries and coal processing plants. In the …
Strain and defect engineering of graphene for hydrogen storage via atomistic modelling
The adsorption of hydrogen molecules on monolayer graphene is investigated using
molecular dynamics simulations (MDS). Interatomic interactions of the graphene layer are …
molecular dynamics simulations (MDS). Interatomic interactions of the graphene layer are …
Hydrogen storage in Sc-decorated Ψ-graphene via density functional theory simulations
Efficient methods and materials to store hydrogen onboard in light-duty fuel cell vehicles is
crucial to move away from fossil fuels in the transport sector. Metal-decorated carbon …
crucial to move away from fossil fuels in the transport sector. Metal-decorated carbon …
Potential reversible hydrogen storage in Li-decorated carbon allotrope PAI-Graphene: A first-principles study
Two-dimensional porous carbon nanomaterials are proven to be promising hydrogen
storage substrates as they possess high surface area, large number of active sites, low …
storage substrates as they possess high surface area, large number of active sites, low …