Recent advances on graphyne and its family members as membrane materials for water purification and desalination

KH Lasisi, OK Abass, K Zhang, TF Ajibade… - Frontiers in …, 2023 - frontiersin.org
Graphyne and its family members (GFMs) are allotropes of carbon (a class of 2D materials)
having unique properties in form of structures, pores and atom hybridizations. Owing to their …

Theoretical Computation for In-Depth Insights into Structure, Properties, and Energy-Storage/Conversion Application of Graphdiyne

M Zeng, H Shi, C Min, J Shi, H Deng… - The Journal of …, 2024 - ACS Publications
Graphdiyne (GDY), a new carbon allotrope, is composed of two types of hybridized (sp and
sp2) carbon atoms to form a 2D planar network structure. After being synthesized in 2010 …

A comprehensive study on the mechanical properties and failure mechanisms of graphyne nanotubes (GNTs) in different phases

B Azizi, S Rezaee, MJ Hadianfard… - Computational Materials …, 2020 - Elsevier
The mechanical properties, failure mechanisms of one-dimensional carbon allotropes
including α, β, γ graphyne nanotubes (GNTs) and also conventional carbon nanotubes …

An efficient graphyne membrane for water desalination

M Mehrdad, A Moosavi - Polymer, 2019 - Elsevier
Desalination of sea saline water seems a successful solution to supply clean water. For
desalination, novel nanoporous membranes have been proposed as a substitute for the …

Vibrational analysis of graphyne-based nanoplates using a hybrid nonlocal strain gradient-atomistic simulation model

A Moradi, A Ghanbarzadeh, M Shishesaz… - Mechanics of …, 2025 - Taylor & Francis
By employing a hybrid atomistic-continuum model, we can combine the advantages of
atomic and continuum models. In this approach, resonance frequencies are matched to …

Stability, mechanical and electronic properties of Occ carbon allotropes: Four new tetragonal 3D superhard carbon crystals

S Ghorbanali, E Zaminpayma, H Mobarakinia - Diamond and Related …, 2023 - Elsevier
Octagonal centered cubic (Occ) carbon allotropes with distinct sp 2, and sp 3 hybridization
have different properties. In this study, four tetragonal novel superhards with mixed sp 3-sp 2 …

Mechanical and thermal properties of graphyne-coated carbon nanotubes: a molecular dynamics simulation on one-dimensional all-carbon van der Waals …

J Li, P Ying, T Liang, Y Du, J Zhou… - Physical Chemistry …, 2023 - pubs.rsc.org
The mechanical and thermal properties of a hybrid nanotube consisting of a coaxial carbon
nanotube (CNT) inside a graphyne nanotube (GNT), ie, CNT@ GNT, are investigated in this …

Strength and fracture of graphyne and graphdiyne nanotubes

B Faria, N Silvestre, JNC Lopes - Computational Materials Science, 2020 - Elsevier
This paper investigates the mechanical behavior of γ-graphyne and γ-graphdiyne
nanotubes under tensile loading using Molecular Dynamics (MD). Although the existence of …

Molecular dynamics investigation of the mechanical properties of two different graphyne allotropes: α-graphyne and α2-graphyne

SN Jafari, Y Hakimi, S Rouhi - Physica E: Low-dimensional Systems and …, 2020 - Elsevier
Molecular dynamics simulations are used to study the mechanical properties of α-graphyne
and α 2-graphyne. The square and rectangular α-graphyne and α 2-graphyne with different …

[HTML][HTML] Size-dependent elastic mechanical properties of γ-graphyne structures: A comprehensive finite element investigation

SK Georgantzinos, SG Siampanis - Materials & Design, 2021 - Elsevier
The size-dependent elastic mechanical properties of various γ-graphyne structures as
graphyne, graphdiyne, graphyne-3, and graphyne− 4 are studied in this work. The …