The art of designing carbon allotropes
RS Zhang, JW Jiang - Frontiers of Physics, 2019 - Springer
Stimulated by the success of graphene and diamond, a variety of carbon allotropes have
been discovered in recent years in either two-dimensional or three-dimensional …
been discovered in recent years in either two-dimensional or three-dimensional …
Interatomic potential suitable for the modeling of penta-graphene: Molecular statics/molecular dynamics studies
S Winczewski, MY Shaheen, J Rybicki - Carbon, 2018 - Elsevier
We test the potentials available for elemental carbon, with the scope to choose the potential
suitable for the modeling of penta-graphene, the latest two dimensional carbon allotrope. By …
suitable for the modeling of penta-graphene, the latest two dimensional carbon allotrope. By …
A comparative investigation of penta-graphene and Pt single atom@ penta-graphene in H2 and O2 detection: DFT study with assessment of the van der Waals density …
The gas-adsorption behaviors of O 2 and H 2 on penta-graphene (PG) and Pt single atom@
penta-graphene (Pt-PG) were investigated using density functional theory calculations. To …
penta-graphene (Pt-PG) were investigated using density functional theory calculations. To …
Intrinsic mechanical properties and fracture mechanism of monolayer penta-graphene investigated by nanoindentation: a molecular dynamics study
A new carbon allotrope called penta-graphene (PG) consisting of sp 2 and sp 3
hybridization has been confirmed to be dynamically, thermally and mechanically stable via …
hybridization has been confirmed to be dynamically, thermally and mechanically stable via …
[HTML][HTML] Molecular Dynamics Insights into Mechanical Stability, Elastic Properties, and Fracture Behavior of PHOTH-Graphene
Q Peng, G Chen, Z Huang, X Chen, A Li, X Cai… - Materials, 2024 - mdpi.com
PHOTH-graphene is a newly predicted 2D carbon material with a low-energy structure.
However, its mechanical stability and fracture properties are still elusive. The mechanical …
However, its mechanical stability and fracture properties are still elusive. The mechanical …
Amorphous and 'crystalline'penta-silicene
Atomic structure, thermodynamic and mechanical behaviours of the penta-silicene (p-
silicene) obtained by cooling from the melt are studied by the molecular dynamics (MD) …
silicene) obtained by cooling from the melt are studied by the molecular dynamics (MD) …
Predicted Carbon Forms
BI Kharisov, OV Kharissova, BI Kharisov… - Carbon Allotropes: Metal …, 2019 - Springer
As it has been shown above, a grand variety of carbon allotropes and forms is currently
known. They can be very common (graphite, coal) or rare (nanoplates or nanocups) and can …
known. They can be very common (graphite, coal) or rare (nanoplates or nanocups) and can …
The influence of the radius of curvature on water desalination across the nanoporous penta-graphene
S Ebrahimi - Membrane and Water Treatment, 2017 - koreascience.kr
In the present study, the water desalination across the penta-graphene has been explored
by using molecular dynamics simulation. The penta-graphene, a new carbon allotrope …
by using molecular dynamics simulation. The penta-graphene, a new carbon allotrope …
Application of the neural networks for developing new parametrization of the Tersoff potential for carbon
AC Nwachukwu, S Winczewski - TASK Quarterly: scientific bulletin …, 2020 - yadda.icm.edu.pl
Penta-graphene (PG) is a 2D carbon allotrope composed of a layer of pentagons having sp2-
and sp3-bonded carbon atoms. A study carried out in 2018 has shown that the …
and sp3-bonded carbon atoms. A study carried out in 2018 has shown that the …