Research progress on penta-graphene and its related materials: Properties and applications
The most direct and efficient strategy in designing and synthesizing new materials is to
change the structural building units, which could lead to a new paradigm shift. Penta …
change the structural building units, which could lead to a new paradigm shift. Penta …
Structures, fundamental properties, and potential applications of low-dimensional C60 polymers and other nanocarbons: a review
Since carbon (C) atom has a variety of chemical bonds via hybridization between s and p
atomic orbitals, it is well known that there are robust carbon materials. In particular …
atomic orbitals, it is well known that there are robust carbon materials. In particular …
Mechanical properties of single-walled penta-graphene-based nanotubes: A DFT and classical molecular dynamics study
Membranes of carbon allotropes comprised solely of densely packed pentagonal rings,
known as penta-graphene, exhibit negative Poisson's ratio (auxetic behavior) and a …
known as penta-graphene, exhibit negative Poisson's ratio (auxetic behavior) and a …
Mechanical properties of tetragraphene single-layer: A molecular dynamics study
Recently, a quasi-2D semiconductor carbon allotrope called tetragraphene (TG), was
proposed. TG is composed of square and hexagonal rings. Some of the TG properties were …
proposed. TG is composed of square and hexagonal rings. Some of the TG properties were …
Atomistic computational modeling of temperature effects in fracture toughness and degradation of penta-graphene monolayer
The novel carbon allotrope with particular and unique 2D arrangement of carbon atoms
similar to a Cairo pentagonal tiling, with interplay of sp 3 and sp 2 hybridized carbon atoms …
similar to a Cairo pentagonal tiling, with interplay of sp 3 and sp 2 hybridized carbon atoms …
Thermal transport properties of penta-graphene with grain boundaries
Abstract Penta-graphene (PG), composed of carbon pentagons, has attracted considerable
attention because of its unique atomic configuration and novel properties. Here, for the first …
attention because of its unique atomic configuration and novel properties. Here, for the first …
On the Mechanical Properties of Popgraphene‐Based Nanotubes: a Reactive Molecular Dynamics Study
Carbon‐based tubular materials have sparked a great interest in future electronics and
optoelectronics device applications. In this work, we computationally studied the mechanical …
optoelectronics device applications. In this work, we computationally studied the mechanical …
Electronic and mechanical properties of (6, 1) single-walled carbon nanotubes with different tube diameters: a theoretical study
We investigated the electronic and mechanical properties of single-walled carbon
nanotubes (SWCNTs) with different tube diameters using density functional theory (DFT) …
nanotubes (SWCNTs) with different tube diameters using density functional theory (DFT) …
On the elastic properties of single-walled phagraphene nanotubes
Phagraphene (PhaG) is a quasi-planar 2D structure composed of 5-6-7 ring sequence. We
have investigated the structural and mechanical properties of phagraphene nanotubes …
have investigated the structural and mechanical properties of phagraphene nanotubes …
Hydrogenation dynamics process of single-wall carbon nanotube twisted
In some of the technological applications (electromechanical oscillators and mechanical
actuators for artificial muscles, for instance), carbon nanotubes (CNT) are subjected to large …
actuators for artificial muscles, for instance), carbon nanotubes (CNT) are subjected to large …