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Title: The influence of surface functionalization on thermal transport and thermoelectric properties of MXene monolayers

The structural model ( i.e. adsorption site of oxygen atom on the surface of MXene) has a paramount impact on the electronic and thermoelectric properties of MXene crystals, which can be exploited to engineer the thermoelectric properties of these materials.
Authors:
ORCiD logo [1] ; ORCiD logo [2] ; ORCiD logo [3] ; ORCiD logo [4]
  1. Department of Physics, Faculty of Science, Dokuz Eylul University, Izmir, Turkey
  2. Department of Physics and Astrophysics, University of North Dakota, Grand Forks, USA
  3. Chemical Sciences and Engineering Division, Argonne National Laboratory, Argonne, USA
  4. Department of Mechanical Engineering, Faculty of Engineering, Anadolu University, Eskisehir, Turkey
Publication Date:
Grant/Contract Number:
AC02-06CH11357
Type:
Publisher's Accepted Manuscript
Journal Name:
Nanoscale
Additional Journal Information:
Journal Name: Nanoscale Journal Volume: 10 Journal Issue: 18; Journal ID: ISSN 2040-3364
Publisher:
Royal Society of Chemistry (RSC)
Sponsoring Org:
USDOE
Country of Publication:
United Kingdom
Language:
English
OSTI Identifier:
1435477

Sarikurt, Sevil, Çakır, Deniz, Keçeli, Murat, and Sevik, Cem. The influence of surface functionalization on thermal transport and thermoelectric properties of MXene monolayers. United Kingdom: N. p., Web. doi:10.1039/C7NR09144C.
Sarikurt, Sevil, Çakır, Deniz, Keçeli, Murat, & Sevik, Cem. The influence of surface functionalization on thermal transport and thermoelectric properties of MXene monolayers. United Kingdom. doi:10.1039/C7NR09144C.
Sarikurt, Sevil, Çakır, Deniz, Keçeli, Murat, and Sevik, Cem. 2018. "The influence of surface functionalization on thermal transport and thermoelectric properties of MXene monolayers". United Kingdom. doi:10.1039/C7NR09144C.
@article{osti_1435477,
title = {The influence of surface functionalization on thermal transport and thermoelectric properties of MXene monolayers},
author = {Sarikurt, Sevil and Çakır, Deniz and Keçeli, Murat and Sevik, Cem},
abstractNote = {The structural model ( i.e. adsorption site of oxygen atom on the surface of MXene) has a paramount impact on the electronic and thermoelectric properties of MXene crystals, which can be exploited to engineer the thermoelectric properties of these materials.},
doi = {10.1039/C7NR09144C},
journal = {Nanoscale},
number = 18,
volume = 10,
place = {United Kingdom},
year = {2018},
month = {1}
}

Works referenced in this record:

Generalized Gradient Approximation Made Simple
journal, October 1996
  • Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias
  • Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868
  • DOI: 10.1103/PhysRevLett.77.3865

Acoustic Phonon Lifetimes and Thermal Transport in Free-Standing and Strained Graphene
journal, May 2012
  • Bonini, Nicola; Garg, Jivtesh; Marzari, Nicola
  • Nano Letters, Vol. 12, Issue 6, p. 2673-2678
  • DOI: 10.1021/nl202694m

Two-dimensional Sc2C: A reversible and high-capacity hydrogen storage material predicted by first-principles calculations
journal, July 2014
  • Hu, Qianku; Wang, Haiyan; Wu, Qinghua
  • International Journal of Hydrogen Energy, Vol. 39, Issue 20, p. 10606-10612
  • DOI: 10.1016/j.ijhydene.2014.05.037

New Directions for Low-Dimensional Thermoelectric Materials
journal, April 2007
  • Dresselhaus, M. S.; Chen, G.; Tang, M. Y.
  • Advanced Materials, Vol. 19, Issue 8, p. 1043-1053
  • DOI: 10.1002/adma.200600527

Ab initiomolecular dynamics for liquid metals
journal, January 1993

Rational Synthesis of Ultrathin n-Type Bi2Te3 Nanowires with Enhanced Thermoelectric Properties
journal, November 2011
  • Zhang, Genqiang; Kirk, Benjamin; Jauregui, Luis A.
  • Nano Letters, Vol. 12, Issue 1, p. 56-60
  • DOI: 10.1021/nl202935k

Thermal Conductivity and Phonon Transport in Suspended Few-Layer Hexagonal Boron Nitride
journal, January 2013
  • Jo, Insun; Pettes, Michael Thompson; Kim, Jaehyun
  • Nano Letters, Vol. 13, Issue 2, p. 550-554
  • DOI: 10.1021/nl304060g

Two-Dimensional Nanocrystals Produced by Exfoliation of Ti3AlC2
journal, August 2011
  • Naguib, Michael; Kurtoglu, Murat; Presser, Volker
  • Advanced Materials, Vol. 23, Issue 37, p. 4248-4253
  • DOI: 10.1002/adma.201102306

Special points for Brillouin-zone integrations
journal, June 1976
  • Monkhorst, Hendrik J.; Pack, James D.
  • Physical Review B, Vol. 13, Issue 12, p. 5188-5192
  • DOI: 10.1103/PhysRevB.13.5188

Electric Field Effect in Atomically Thin Carbon Films
journal, October 2004

Superior Thermal Conductivity of Single-Layer Graphene
journal, March 2008
  • Balandin, Alexander A.; Ghosh, Suchismita; Bao, Wenzhong
  • Nano Letters, Vol. 8, Issue 3, p. 902-907
  • DOI: 10.1021/nl0731872

Ab initio molecular-dynamics simulation of the liquid-metal–amorphous-semiconductor transition in germanium
journal, May 1994

25th Anniversary Article: MXenes: A New Family of Two-Dimensional Materials
journal, December 2013
  • Naguib, Michael; Mochalin, Vadym N.; Barsoum, Michel W.
  • Advanced Materials, Vol. 26, Issue 7, p. 992-1005
  • DOI: 10.1002/adma.201304138

Design Principle of Telluride-Based Nanowire Heterostructures for Potential Thermoelectric Applications
journal, June 2012
  • Zhang, Genqiang; Fang, Haiyu; Yang, Haoran
  • Nano Letters, Vol. 12, Issue 7, p. 3627-3633
  • DOI: 10.1021/nl301327d

MXene: a promising transition metal carbide anode for lithium-ion batteries
journal, March 2012
  • Naguib, Michael; Come, Jérémy; Dyatkin, Boris
  • Electrochemistry Communications, Vol. 16, Issue 1, p. 61-64
  • DOI: 10.1016/j.elecom.2012.01.002