Emerging properties of carbon based 2D material beyond graphene
Graphene turns out to be the pioneering material for setting up boulevard to a new zoo of
recently proposed carbon based novel two dimensional (2D) analogues. It is evident that …
recently proposed carbon based novel two dimensional (2D) analogues. It is evident that …
Quintuple function integration in two-dimensional Cr (II) five-membered heterocyclic metal organic frameworks via tuning ligand spin and lattice symmetry
Two-dimensional (2D) semiconductors (SCs) integrated with two or more functions are the
cornerstone for constructing multifunctional nanodevices but remain largely limited. Here, by …
cornerstone for constructing multifunctional nanodevices but remain largely limited. Here, by …
Density Function Theory Predicted Carbon Allotropes: Recent Developments
The most recent data on experimentally undiscovered carbon allotropes, predicted by the
Density Function Theory (DFT), are reviewed. Classic carbon allotropes, graphenes, carbon …
Density Function Theory (DFT), are reviewed. Classic carbon allotropes, graphenes, carbon …
Mechanical, electronic, and optical properties of 8-16-4 graphyne: A 2d carbon allotrope with dirac cones
Graphene's success has led to the theoretical prediction and experimental synthesis of
various 2D carbon-based allotropes. To explore the mechanical, structural, electronic, and …
various 2D carbon-based allotropes. To explore the mechanical, structural, electronic, and …
Two novel phases of germa-graphene: Prediction, electronic and transport applications
In search of potential candidates for thermoelectric energy conversion, graphene and its
derivatives always enthralled researchers for their exotic characteristics. Experimental …
derivatives always enthralled researchers for their exotic characteristics. Experimental …
Evaluation of the structural, electronic and magnetic properties of modified 8-16-4 graphyne by 3d transition metals: A DFT-D2 study
A new two-dimensional carbon allotrope called 8-16-4 graphyne (GY) has been recently
introduced (in 2021). This allotrope consists of sp. and sp 2 hybridized carbon atoms. To …
introduced (in 2021). This allotrope consists of sp. and sp 2 hybridized carbon atoms. To …
Controlling C–C coupling reactivity through pore shape engineering of B-doped graphyne family
Graphyne is an interesting carbon allotrope characterized by sp-sp 2 hybridized carbon
bonds, which allow for structure variability. Though there are studies evaluating the electrical …
bonds, which allow for structure variability. Though there are studies evaluating the electrical …
Spontaneous Dumbbell Formations via Surface Functionalization of the C3N Monolayer with Versatile Electronic and Mechanical Properties
This article theoretically explores the formation of dumbbell (DB)-like structures by elemental
adsorption on the recently synthesized C3N monolayer. Owing to the repulsion from N …
adsorption on the recently synthesized C3N monolayer. Owing to the repulsion from N …
[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 …
Intriguing features of Dirac cones in phagraphene with site specific do**
The non-honeycomb lattice phagraphene is energetically comparable with graphene and
has recently been experimentally realized in 1D form. This carbon allotrope exhibits …
has recently been experimentally realized in 1D form. This carbon allotrope exhibits …