First-principles study of size- and edge-dependent properties of MXene nanoribbons

Hong, Liang; Klie, Robert F.; Öğüt, Serdar

doi:10.1103/PhysRevB.93.115412

Title: First-principles study of size- and edge-dependent properties of MXene nanoribbons

Authors:: Hong, Liang; Klie, Robert F.; Öğüt, Serdar

Publication Date:: Wed Mar 09 00:00:00 EST 2016

Sponsoring Org.:: USDOE

OSTI Identifier:: 1242578

Grant/Contract Number:: AC02-05CH11231

Resource Type:: Publisher's Accepted Manuscript

Journal Name:: Physical Review B

Additional Journal Information:: Journal Name: Physical Review B Journal Volume: 93 Journal Issue: 11; Journal ID: ISSN 2469-9950

Publisher:: American Physical Society

Country of Publication:: United States

Language:: English

Citation Formats


                    Hong, Liang, Klie, Robert F., and Öğüt, Serdar. First-principles study of size- and edge-dependent properties of MXene nanoribbons.  United States: N. p., 2016. 
Web.  doi:10.1103/PhysRevB.93.115412.

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                    Hong, Liang, Klie, Robert F., & Öğüt, Serdar. First-principles study of size- and edge-dependent properties of MXene nanoribbons.  United States.  https://doi.org/10.1103/PhysRevB.93.115412

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                    Hong, Liang, Klie, Robert F., and Öğüt, Serdar. Wed .  
"First-principles study of size- and edge-dependent properties of MXene nanoribbons".  United States.  https://doi.org/10.1103/PhysRevB.93.115412.

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@article{osti_1242578,

  title        = {First-principles study of size- and edge-dependent properties of MXene nanoribbons},

  author       = {Hong, Liang and Klie, Robert F. and Öğüt, Serdar},

  abstractNote = {},

  doi          = {10.1103/PhysRevB.93.115412},

  journal      = {Physical Review B},

  number       = 11,

  volume       = 93,

  place        = {United States},

  year         = {Wed Mar 09 00:00:00 EST 2016},

  month        = {Wed Mar 09 00:00:00 EST 2016}

}

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Title: First-principles study of size- and edge-dependent properties of MXene nanoribbons

Citation Formats

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Tailoring the atomic structure of graphene nanoribbons by scanning tunnelling microscope lithography journal, June 2008

Progress in research and development on MAX phases: a family of layered ternary compounds journal, May 2011

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First-principles study on structural, electronic and elastic properties of graphene-like hexagonal Ti2C monolayer journal, February 2014

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Two-dimensional Sc₂C: A reversible and high-capacity hydrogen storage material predicted by first-principles calculations
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Progress in research and development on MAX phases: a family of layered ternary compounds
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Multilayer Silicene Nanoribbons
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Two-Dimensional, Ordered, Double Transition Metals Carbides (MXenes)
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Hybrid density functional study of structural and electronic properties of functionalized Ti $_{n + 1} X_{n}$ ( $X = C$ , N) monolayers
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OH-terminated two-dimensional transition metal carbides and nitrides as ultralow work function materials
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Computational studies on structural and electronic properties of functionalized MXene monolayers and nanotubes
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Quantum Theory of the Optical and Electronic Properties of Semiconductors
book, January 1994

Graphene nanoribbon heterojunctions
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Quasiparticle Energies and Band Gaps in Graphene Nanoribbons
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journal, November 2006

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journal, August 2014

Electronic properties of rutile $Ti O_{2}$ ultrathin films: Odd-even oscillations with the number of layers
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Intriguing electronic properties of two-dimensional MoS ₂ /TM ₂ CO ₂ (TM = Ti, Zr, or Hf) hetero-bilayers: type-II semiconductors with tunable band gaps
journal, March 2015

Nanotomy-based production of transferable and dispersible graphene nanostructures of controlled shape and size
journal, January 2012

Two-Dimensional Nanocrystals Produced by Exfoliation of Ti₃AlC₂
journal, August 2011

One-Dimensional Nanostructures: Synthesis, Characterization, and Applications
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Layered Machinable and Electrically Conductive Ti2AlC and Ti3AlC2 Ceramics: a Review
journal, May 2010

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journal, July 2010

Achieving Type I, II, and III Heterojunctions Using Functionalized MXene
journal, March 2015

Half metallicity along the edge of zigzag boron nitride nanoribbons
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25th Anniversary Article: MXenes: A New Family of Two-Dimensional Materials
journal, December 2013

Peculiar width dependence of the electronic properties of carbon nanoribbons
journal, January 2006

Flexible two-dimensional Ti _n+1 C _n (n = 1, 2 and 3) and their functionalized MXenes predicted by density functional theories
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Edge state in graphene ribbons: Nanometer size effect and edge shape dependence
journal, December 1996

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Novel Electronic and Magnetic Properties of Two-Dimensional Transition Metal Carbides and Nitrides
journal, December 2012

Tuning Magnetism and Electronic Phase Transitions by Strain and Electric Field in Zigzag MoS₂ Nanoribbons
journal, September 2012

Elastic and Mechanical Properties of the MAX Phases
journal, August 2011

Identification of active atomic defects in a monolayered tungsten disulphide nanoribbon
journal, March 2011