DOE PAGES title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Recent advances of novel ultrathin two-dimensional silicon carbides from a theoretical perspective

Abstract

Compared to graphene with semimetallic features, two-dimensional (2D) silicon carbide (Si–C) materials constitute another highly promising family for opto-electronic applications owing to their intrinsic electronic gaps.

Authors:
ORCiD logo [1]; ORCiD logo [2];  [3]
  1. Institute of Fundamental and Frontier Sciences, University of Electronic Science and Technology of China, Chengdu 610054, P. R. China
  2. School of Chemistry and Materials Engineering, Changshu Institute of Technology, Changshu, P. R. China
  3. Theoretical Physics and Chemistry of Materials, Los Alamos National Laboratory, Los Alamos, USA, Skolkovo Institute of Science and Technology
Publication Date:
Sponsoring Org.:
USDOE
OSTI Identifier:
1598716
Resource Type:
Publisher's Accepted Manuscript
Journal Name:
Nanoscale
Additional Journal Information:
Journal Name: Nanoscale Journal Volume: 12 Journal Issue: 7; Journal ID: ISSN 2040-3364
Publisher:
Royal Society of Chemistry (RSC)
Country of Publication:
United Kingdom
Language:
English

Citation Formats

Zhou, Liujiang, Dong, Huilong, and Tretiak, Sergei. Recent advances of novel ultrathin two-dimensional silicon carbides from a theoretical perspective. United Kingdom: N. p., 2020. Web. doi:10.1039/C9NR08755A.
Zhou, Liujiang, Dong, Huilong, & Tretiak, Sergei. Recent advances of novel ultrathin two-dimensional silicon carbides from a theoretical perspective. United Kingdom. https://doi.org/10.1039/C9NR08755A
Zhou, Liujiang, Dong, Huilong, and Tretiak, Sergei. Thu . "Recent advances of novel ultrathin two-dimensional silicon carbides from a theoretical perspective". United Kingdom. https://doi.org/10.1039/C9NR08755A.
@article{osti_1598716,
title = {Recent advances of novel ultrathin two-dimensional silicon carbides from a theoretical perspective},
author = {Zhou, Liujiang and Dong, Huilong and Tretiak, Sergei},
abstractNote = {Compared to graphene with semimetallic features, two-dimensional (2D) silicon carbide (Si–C) materials constitute another highly promising family for opto-electronic applications owing to their intrinsic electronic gaps.},
doi = {10.1039/C9NR08755A},
journal = {Nanoscale},
number = 7,
volume = 12,
place = {United Kingdom},
year = {Thu Feb 20 00:00:00 EST 2020},
month = {Thu Feb 20 00:00:00 EST 2020}
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record
https://doi.org/10.1039/C9NR08755A

Citation Metrics:
Cited by: 23 works
Citation information provided by
Web of Science

Save / Share:

Works referenced in this record:

Substrate-induced bandgap opening in epitaxial graphene
journal, September 2007

  • Zhou, S. Y.; Gweon, G. -H.; Fedorov, A. V.
  • Nature Materials, Vol. 6, Issue 10
  • DOI: 10.1038/nmat2003

Inverse design of materials by multi-objective differential evolution
journal, February 2015


CALYPSO: A method for crystal structure prediction
journal, October 2012


Unprecedented Piezoresistance Coefficient in Strained Silicon Carbide
journal, August 2019


Is Graphitic Silicon Carbide (Silagraphene) Stable?
journal, September 2018


Phosphorene: Fabrication, Properties, and Applications
journal, July 2015

  • Kou, Liangzhi; Chen, Changfeng; Smith, Sean C.
  • The Journal of Physical Chemistry Letters, Vol. 6, Issue 14
  • DOI: 10.1021/acs.jpclett.5b01094

Perfect spin and valley polarized quantum transport in twisted SiC nanoribbons
journal, February 2017


Computational Dissection of 2D SiC 7 Monolayer: A Direct Band Gap Semiconductor and High Power Conversion Efficiency
journal, May 2019

  • Guan, Jintong; Zhang, Lingyan; Deng, Kaiming
  • Advanced Theory and Simulations, Vol. 2, Issue 8
  • DOI: 10.1002/adts.201900058

Computational insights and the observation of SiC nanograin assembly: towards 2D silicon carbide
journal, June 2017


Hybrid functionals based on a screened Coulomb potential
journal, May 2003

  • Heyd, Jochen; Scuseria, Gustavo E.; Ernzerhof, Matthias
  • The Journal of Chemical Physics, Vol. 118, Issue 18
  • DOI: 10.1063/1.1564060

Combining graphene with silicon carbide: synthesis and properties – a review
journal, October 2016

  • Shtepliuk, Ivan; Khranovskyy, Volodymyr; Yakimova, Rositsa
  • Semiconductor Science and Technology, Vol. 31, Issue 11
  • DOI: 10.1088/0268-1242/31/11/113004

First-principles study of electronic transport and optical properties of penta-graphene, penta-SiC 2 and penta-CN 2
journal, January 2016

  • Berdiyorov, Golibjon R.; Madjet, Mohamed El-Amine
  • RSC Advances, Vol. 6, Issue 56
  • DOI: 10.1039/C6RA10376F

SiC 2 Silagraphene and Its One-Dimensional Derivatives: Where Planar Tetracoordinate Silicon Happens
journal, February 2011

  • Li, Yafei; Li, Fengyu; Zhou, Zhen
  • Journal of the American Chemical Society, Vol. 133, Issue 4
  • DOI: 10.1021/ja107711m

Metallized siligraphene nanosheets (SiC7) as high capacity hydrogen storage materials
journal, July 2018


From graphene to silicon carbide: ultrathin silicon carbide flakes
journal, January 2016


Computational design and property predictions for two-dimensional nanostructures
journal, May 2018


Computational Dissection of Two-Dimensional Rectangular Titanium Mononitride TiN: Auxetics and Promises for Photocatalysis
journal, June 2017


Electronic structure of graphene tubules based on C 60
journal, July 1992


Adsorption of hydrazine on XC3 (X = B, Al, N, Si, and Ge) nanosheets: A computational study
journal, March 2019


Excitonic effects in the optical properties of a SiC sheet and nanotubes
journal, August 2011


SiC 2 Siligraphene and Nanotubes: Novel Donor Materials in Excitonic Solar Cells
journal, October 2013

  • Zhou, Liu-Jiang; Zhang, Yong-Fan; Wu, Li-Ming
  • Nano Letters, Vol. 13, Issue 11
  • DOI: 10.1021/nl403010s

First-principles study of defects and adatoms in silicon carbide honeycomb structures
journal, February 2010


Low-temperature solvothermal route to 2H–SiC nanoflakes
journal, February 2006

  • Zou, Guifu; Dong, Chao; Xiong, Kan
  • Applied Physics Letters, Vol. 88, Issue 7
  • DOI: 10.1063/1.2174123

Quasiparticle Energies and Band Gaps in Graphene Nanoribbons
journal, November 2007


Crystal structure prediction via particle-swarm optimization
journal, September 2010


Two-dimensional rectangular tantalum carbide halides TaCX (X = Cl, Br, I): novel large-gap quantum spin Hall insulators
journal, September 2016


Generalized cluster description of multicomponent systems
journal, November 1984

  • Sanchez, J. M.; Ducastelle, F.; Gratias, D.
  • Physica A: Statistical Mechanics and its Applications, Vol. 128, Issue 1-2
  • DOI: 10.1016/0378-4371(84)90096-7

Electrochemical Properties and Applications of Nanocrystalline, Microcrystalline, and Epitaxial Cubic Silicon Carbide Films
journal, May 2015

  • Zhuang, Hao; Yang, Nianjun; Zhang, Lei
  • ACS Applied Materials & Interfaces, Vol. 7, Issue 20
  • DOI: 10.1021/acsami.5b02024

Ferromagnetic and Half-Metallic FeC 2 Monolayer Containing C 2 Dimers
journal, September 2016

  • Zhao, Tianshan; Zhou, Jian; Wang, Qian
  • ACS Applied Materials & Interfaces, Vol. 8, Issue 39
  • DOI: 10.1021/acsami.6b07482

Two-dimensional topological insulators with binary honeycomb lattices: Si C 3 siligraphene and its analogs
journal, May 2014


Erratum: “Hybrid functionals based on a screened Coulomb potential” [J. Chem. Phys. 118, 8207 (2003)]
journal, June 2006

  • Heyd, Jochen; Scuseria, Gustavo E.; Ernzerhof, Matthias
  • The Journal of Chemical Physics, Vol. 124, Issue 21
  • DOI: 10.1063/1.2204597

Synthesis of Large-Area MoS2 Atomic Layers with Chemical Vapor Deposition
journal, March 2012

  • Lee, Yi-Hsien; Zhang, Xin-Quan; Zhang, Wenjing
  • Advanced Materials, Vol. 24, Issue 17, p. 2320-2325
  • DOI: 10.1002/adma.201104798

Ab initio study of electronic and optical behavior of two-dimensional silicon carbide
journal, January 2013

  • Lin, Xiao; Lin, Shisheng; Xu, Yang
  • Journal of Materials Chemistry C, Vol. 1, Issue 11
  • DOI: 10.1039/c3tc00629h

Two-dimensional siligraphenes as cathode catalysts for nonaqueous lithium-oxygen batteries
journal, January 2018


Adsorption and catalytic decomposition of hydrazine on metal-free SiC3 siligraphene
journal, March 2019


Large-Area Synthesis of High-Quality and Uniform Graphene Films on Copper Foils
journal, May 2009


Quasi-Two-Dimensional SiC and SiC 2 : Interaction of Silicon and Carbon at Atomic Thin Lattice Plane
journal, August 2015

  • Lin, Shisheng; Zhang, Shengjiao; Li, Xiaoqiang
  • The Journal of Physical Chemistry C, Vol. 119, Issue 34
  • DOI: 10.1021/acs.jpcc.5b04113

USPEX—Evolutionary crystal structure prediction
journal, December 2006

  • Glass, Colin W.; Oganov, Artem R.; Hansen, Nikolaus
  • Computer Physics Communications, Vol. 175, Issue 11-12
  • DOI: 10.1016/j.cpc.2006.07.020

First-principles study of monolayer and bilayer honeycomb structures of group-IV elements and their binary compounds
journal, January 2011


Penta-graphene: A new carbon allotrope
journal, February 2015

  • Zhang, Shunhong; Zhou, Jian; Wang, Qian
  • Proceedings of the National Academy of Sciences, Vol. 112, Issue 8
  • DOI: 10.1073/pnas.1416591112

Origins of Dirac cone formation in AB3 and A3B (A, B = C, Si, and Ge) binary monolayers
journal, September 2017


Exploring the Mechanism of Spontaneous and Lithium-Assisted Graphitic Phase Formation in SiC Nanocrystallites of a High Capacity Li-Ion Battery Anode
journal, July 2017

  • Bijoy, T. K.; Karthikeyan, J.; Murugan, P.
  • The Journal of Physical Chemistry C, Vol. 121, Issue 28
  • DOI: 10.1021/acs.jpcc.7b04489

Topochemical synthesis of 2D materials
journal, January 2018

  • Xiao, Xu; Wang, Hao; Urbankowski, Patrick
  • Chemical Society Reviews, Vol. 47, Issue 23
  • DOI: 10.1039/C8CS00649K

Origin of Dirac Cones in SiC Silagraphene: A Combined Density Functional and Tight-Binding Study
journal, March 2015


Novel Excitonic Solar Cells in Phosphorene–TiO 2 Heterostructures with Extraordinary Charge Separation Efficiency
journal, May 2016

  • Zhou, Liujiang; Zhang, Jin; Zhuo, Zhiwen
  • The Journal of Physical Chemistry Letters, Vol. 7, Issue 10
  • DOI: 10.1021/acs.jpclett.6b00475

SiC 7 siligraphene: a novel donor material with extraordinary sunlight absorption
journal, January 2016

  • Dong, Huilong; Zhou, Liujiang; Frauenheim, Thomas
  • Nanoscale, Vol. 8, Issue 13
  • DOI: 10.1039/C6NR00046K

Exploring planar and nonplanar siligraphene: a first-principles study
journal, January 2019

  • Tang, Xudong; Liu, Wenchao; Luo, Chaobo
  • RSC Advances, Vol. 9, Issue 22
  • DOI: 10.1039/C9RA01037H

σ–π-Band Inversion in a Novel Two-Dimensional Material
journal, August 2015

  • Lopez-Bezanilla, Alejandro; Littlewood, Peter B.
  • The Journal of Physical Chemistry C, Vol. 119, Issue 33
  • DOI: 10.1021/acs.jpcc.5b04726

Novel bonding patterns and optoelectronic properties of the two-dimensional Si x C y monolayers
journal, January 2017

  • Fan, Dong; Lu, Shaohua; Guo, Yundong
  • Journal of Materials Chemistry C, Vol. 5, Issue 14
  • DOI: 10.1039/C6TC05415C

Electrical Characteristics of Molybdenum Disulfide Flakes Produced by Liquid Exfoliation
journal, August 2011

  • Lee, Kangho; Kim, Hye-Young; Lotya, Mustafa
  • Advanced Materials, Vol. 23, Issue 36
  • DOI: 10.1002/adma.201101013

Ab initio theory of gate induced gaps in graphene bilayers
journal, April 2007


Negative Poisson's ratio and high-mobility transport anisotropy in SiC 6 siligraphene
journal, January 2018

  • Liu, Xiaobiao; Shao, Xiaofei; Yang, Bo
  • Nanoscale, Vol. 10, Issue 4
  • DOI: 10.1039/C7NR06932D

Semimetallic Si3C as a high capacity anode material for advanced lithium ion batteries
journal, June 2019


Structure and stability of SiC nanotubes
journal, March 2004


Predicting Two-Dimensional Boron–Carbon Compounds by the Global Optimization Method
journal, October 2011

  • Luo, Xinyu; Yang, Jihui; Liu, Hanyu
  • Journal of the American Chemical Society, Vol. 133, Issue 40
  • DOI: 10.1021/ja2072753

Tuning the electronic properties of single-walled SiC nanotubes by external electric field
journal, July 2016


Improving the electrical conductivity of Siligraphene SiC7 by strain
journal, January 2019


Formation of Silicon Carbide Nanotubes and Nanowires via Reaction of Silicon (from Disproportionation of Silicon Monoxide) with Carbon Nanotubes
journal, December 2002

  • Sun, Xu-Hui; Li, Chi-Pui; Wong, Wing-Kwong
  • Journal of the American Chemical Society, Vol. 124, Issue 48
  • DOI: 10.1021/ja0273997

Versatile mechanical properties of novel g-SiC x monolayers from graphene to silicene: a first-principles study
journal, May 2018


SiC Nanotubes:  A Novel Material for Hydrogen Storage
journal, August 2006

  • Mpourmpakis, Giannis; Froudakis, George E.; Lithoxoos, George P.
  • Nano Letters, Vol. 6, Issue 8
  • DOI: 10.1021/nl0603911

Theoretical investigations on SiC2 siligraphene as promising metal-free catalyst for oxygen reduction reaction
journal, December 2015


Identification of luminescent surface defect in SiC quantum dots
journal, February 2015

  • Dai, Dejian; Guo, Xiaoxiao; Fan, Jiyang
  • Applied Physics Letters, Vol. 106, Issue 5
  • DOI: 10.1063/1.4907674

Electronic and electrical properties of siligraphene (g-SiC3) in the presence of several strains
journal, April 2019

  • Houmad, M.; Mohammed, Mohammed H.; Masrour, R.
  • Journal of Physics and Chemistry of Solids, Vol. 127
  • DOI: 10.1016/j.jpcs.2018.12.016

Al 2 C Monolayer Sheet and Nanoribbons with Unique Direction-Dependent Acoustic-Phonon-Limited Carrier Mobility and Carrier Polarity
journal, January 2016


Mechanical properties of various two-dimensional silicon carbide sheets: An atomistic study
journal, October 2016


Interfacial engineering in graphene bandgap
journal, January 2018

  • Xu, Xiaozhi; Liu, Chang; Sun, Zhanghao
  • Chemical Society Reviews, Vol. 47, Issue 9
  • DOI: 10.1039/C7CS00836H

Prediction of the quantum spin Hall effect in monolayers of transition-metal carbides MC (M = Ti, Zr, Hf)
journal, September 2016


Tuning the indirect–direct band gap transition of SiC, GeC and SnC monolayer in a graphene-like honeycomb structure by strain engineering: a quasiparticle GW study
journal, January 2012

  • Lü, Tie-Yu; Liao, Xia-Xia; Wang, Hui-Qiong
  • Journal of Materials Chemistry, Vol. 22, Issue 19
  • DOI: 10.1039/c2jm30915g

Origin of the energy bandgap in epitaxial graphene
journal, April 2008

  • Zhou, S. Y.; Siegel, D. A.; Fedorov, A. V.
  • Nature Materials, Vol. 7, Issue 4
  • DOI: 10.1038/nmat2154b

Phosphorene: An Unexplored 2D Semiconductor with a High Hole Mobility
journal, March 2014

  • Liu, Han; Neal, Adam T.; Zhu, Zhen
  • ACS Nano, Vol. 8, Issue 4
  • DOI: 10.1021/nn501226z

Electronic structure of super-honeycomb systems: A peculiar realization of semimetal/semiconductor classes and ferromagnetism
journal, December 1993


Self-interaction correction to density-functional approximations for many-electron systems
journal, May 1981


The synthesis of nanostructured SiC from waste plastics and silicon powder
journal, August 2009


SiC2 siligraphene as a promising anchoring material for lithium-sulfur batteries: a computational study
journal, May 2018


Thermal conductivity of silicon and carbon hybrid monolayers: a molecular dynamics study
journal, June 2012


Theoretical investigations on novel SiC5 siligraphene as gas sensor for air pollutants
journal, March 2017


Light-Emitting Two-Dimensional Ultrathin Silicon Carbide
journal, February 2012

  • Lin, S. S.
  • The Journal of Physical Chemistry C, Vol. 116, Issue 6
  • DOI: 10.1021/jp210536m

Predicting Two-Dimensional Silicon Carbide Monolayers
journal, September 2015


Cross-sectional cleavages of SiC for evaluation of epitaxial layers
journal, January 2000


Novel half-metallic and bipolar materials formed by decoration of g-SiC2 with selected 3d transition metals
journal, July 2019