scholarly journals Nonzero Gap Two-Dimensional Carbon Allotrope from Porous Graphene

2012 ◽  
Vol 116 (23) ◽  
pp. 12810-12813 ◽  
Author(s):  
G. Brunetto ◽  
P. A. S. Autreto ◽  
L. D. Machado ◽  
B. I. Santos ◽  
R. P. B. dos Santos ◽  
...  
Keyword(s):  
Two Dimensional ◽  
Carbon Allotrope ◽  
Porous Graphene

scholarly journals A Nonzero Gap Two-dimensional Carbon Allotrope from Porous Graphene

2012 ◽  
Vol 1407 ◽  
Author(s):  
Gustavo Brunetto ◽  
Bruno I. Santos ◽  
Pedro A. S. Autreto ◽  
Leonadro D. Machado ◽  
Ricardo P. B. dos Santos ◽  
...  
Keyword(s):  
Materials Science ◽  
Quantum Molecular Dynamics ◽  
Two Dimensional ◽  
Frontier Orbitals ◽  
Carbon Allotrope ◽  
Porous Graphene ◽  
Spontaneous Formation ◽  
Hydrogenated Graphene ◽  
Molecular Dynamics Calculations ◽  
Synthetic Routes

ABSTRACTGraphene has been one of the hottest topics in materials science in the last years. Because of its special electronic properties graphene is considered one of the most promising materials for future electronics. However, in its pristine form graphene is a gapless semiconductor, which poses some limitations to its use in some transistor electronics. Many approaches have been tried to create, in a controlled way, a gap in graphene. These approaches have obtained limited successes. Recently, hydrogenated graphene-like structures, the so-called porous graphene, have been synthesized. In this work we show, based on ab initio quantum molecular dynamics calculations, that porous graphene dehydrogenation can lead to a spontaneous formation of a nonzero gap two-dimensional carbon allotrope, called biphenylene carbon (BC). Besides exhibiting an intrinsic nonzero gap value, BC also presents well delocalized frontier orbitals, suggestive of a structure with high electronic mobility. Possible synthetic routes to obtain BC from porous graphene are addressed.

Theoretical Study of Carrier Mobility in Two-Dimensional Tetragonal Carbon Allotrope from Porous Graphene

2016 ◽  
Vol 33 (8) ◽  
pp. 083101 ◽  
Author(s):  
Song Gao ◽  
Hui Xiang ◽  
Bo Xu ◽  
Yi-Dong Xia ◽  
Jiang Yin ◽  
...  
Keyword(s):  
Carrier Mobility ◽  
Theoretical Study ◽  
Two Dimensional ◽  
Carbon Allotrope ◽  
Porous Graphene

scholarly journals PAI-graphene: A new topological semimetallic two-dimensional carbon allotrope with highly tunable anisotropic Dirac cones

Carbon ◽  
2020 ◽  
Vol 170 ◽  
pp. 477-486 ◽  
Author(s):  
Xin Chen ◽  
Adrien Bouhon ◽  
Linyang Li ◽  
François M. Peeters ◽  
Biplab Sanyal
Keyword(s):  
Two Dimensional ◽  
Carbon Allotrope

Pentagraphyne: a new carbon allotrope with superior electronic and optical property

2020 ◽  
Vol 8 (45) ◽  
pp. 16143-16150
Author(s):  
Jyotirmoy Deb ◽  
Debolina Paul ◽  
Utpal Sarkar
Keyword(s):  
Optical Property ◽  
Two Dimensional ◽  
Carbon Allotrope

Herein, we have proposed a novel two-dimensional (2D) carbon allotrope, namely pentagraphyne (PG-yne), which is energetically favourable than other graphyne members, including experimentally synthesized graphyne and graphdiyne monolayer.

scholarly journals Vibration behavior of diamondene nano-ribbon passivated by hydrogen

2019 ◽  
Vol 9 (1) ◽  
Author(s):  
Lei Wang ◽  
Ranran Zhang ◽  
Jiao Shi ◽  
Kun Cai
Keyword(s):  
Molecular Dynamics ◽  
Slenderness Ratio ◽  
Curvature Radius ◽  
Two Dimensional ◽  
Vibration Frequencies ◽  
Carbon Allotrope ◽  
First Order ◽  
Vibration Behavior ◽  
Temperature Controlled ◽  
Dynamics Simulations

Abstract Diamondene is a new kind of two dimensional carbon allotrope with excellent properties and passivation approaches are often used to reduce the extremely high pressure required during its fabrication. When a one-end-clamped diamondene ribbon is hydrogenated on one surface, the ribbon tends to bend and vibrate due to asymmetric layout of C-H bonds on two surfaces. In the present work, the vibration behavior, including natural curvatures and vibration frequencies of diamondene ribbons, were investigated by molecular dynamics simulations. Results indicate that the natural curvature radius of a narrow diamondene ribbon is close to 12.17 nm at a temperature below 150 K, which is essential for fabricating an arc nanodevice. The first order frequency (f1) of a cantilever beam made from the ribbon follows traditional beam vibration theory if the slenderness ratio is low. In particular, f1 increases logarithmically at temperature below 50 K, but changes slightly between 50 K and 150 K. It suggests a design scheme for a nanoresonator with temperature-controlled frequency.

scholarly journals Liquid-Phase Exfoliation of Poly(Dicarbon Monofluoride) (C2F)n

2020 ◽  
Author(s):  
Xianjue Chen ◽  
Marc Dubois ◽  
Silvana Radescu Cioranescu ◽  
Aditya Rawal ◽  
Chuan Zhao
Keyword(s):  
Density Functional Theory ◽  
Density Functional ◽  
Single Layer ◽  
Two Dimensional ◽  
Functional Theory ◽  
Carbon Allotrope ◽  
Spectroscopic Analyses ◽  
The Density Functional Theory ◽  
New Form ◽  
Liquid Phase Exfoliation

Fluorinated single-layer diamond (“F-diamond”) is a new form of two-dimensional carbon allotrope. Herein, poly(dicarbon monofluoride) (C<sub>2</sub>F)<sub>n</sub> that is essentially made of stacked layers of “F-diamane” has been synthesized and exfoliated in a variety of solvents to yield well-dispersed ultrathin sheets. Microscopic and spectroscopic analyses revealed that the exfoliated sheets retained the “F-diamane”-like structure. The experimental results are supported by the density functional theory (DFT) calculations.

Graphdiyne oxide as a platform for fluorescence sensing

2016 ◽  
Vol 52 (32) ◽  
pp. 5629-5632 ◽  
Author(s):  
Chunxia Wang ◽  
Ping Yu ◽  
Shuyue Guo ◽  
Lanqun Mao ◽  
Huibiao Liu ◽  
...  
Keyword(s):  
Fluorescence Quenching ◽  
Two Dimensional ◽  
Fluorescence Sensing ◽  
Carbon Allotrope ◽  
Hexagonal Ring ◽  
High Fluorescence

Graphdiyne (GD), a new kind of two-dimensional carbon allotrope consisting of a hexagonal ring and a diacetylenic linkage unit, is observed to exhibit a high fluorescence quenching ability and can be used as a new platform for fluorescence sensing, where GD oxide, the oxidized form of GD, is found to exhibit higher quenching ability than GD.

Porous Graphene-based Membranes: Preparation and Properties of a Unique Two-dimensional Nanomaterial Membrane for Water Purification

2020 ◽  
pp. 1-21 ◽  
Author(s):  
Sanjay Remanan ◽  
Nagarajan Padmavathy ◽  
Sabyasachi Ghosh ◽  
Subhadip Mondal ◽  
Suryasarathi Bose ◽  
...  
Keyword(s):  
Water Purification ◽  
Two Dimensional ◽  
Porous Graphene

M-graphene: a metastable two-dimensional carbon allotrope

2D Materials ◽  
2020 ◽  
Vol 7 (2) ◽  
pp. 025047 ◽  
Author(s):  
Chunlei Kou ◽  
Yuanye Tian ◽  
Miao Zhang ◽  
Eva Zurek ◽  
Xin Qu ◽  
...  
Keyword(s):  
Two Dimensional ◽  
Carbon Allotrope
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