Journals Articles Conferences News About CLP
Submit a paper Email Alert
Search
Search
Articles
Journals
News
Advanced Search
Top Searches
2D MaterialsTransformation opticsQuantum PhotonicsSmall lasersSemiconductor UV PhotonicsSupersymmetric microring laser arrays

Journal of Inorganic Materials, Volume. 35, Issue 1, 73(2020)

Theoretical Studies on the Modulation of the Electronic Property of Ti2CO2 by Electric Field, Strain and Charge States

Chang-Ying WANG1, Yu-Chang LU2, Cui-Lan REN2、*, Gang WANG1, and Ping HUAI2,3、*
Author Affiliations
  • 1School of Sciences, Changzhou Institute of Technology, Changzhou 213032, China
  • 2Shanghai Institute of Applied Physics, Chinese Academy of Sciences, Shanghai 201800, 3. School of Physical Science and Technology, ShanghaiTech University, Shanghai 201210, China
  • 3School of Physical Science and Technology, ShanghaiTech University, Shanghai 201210, China
    • show less
    AbstractGet PDF(in Chinese)
    Figures&Tables (7)
    Equations (0)
    References (45)
    Tools
    Paper Information
    Topics
    References(45)

    [1] G FIORI, F BONACCORSO, G IANNACCONE et al. Electronics based on two-dimensional materials. Nature Nanotechnology, 9, 768-779(2014).

    [2] F XIA, H WANG, D XIAO et al. Two-dimensional material nanophotonics. Nature Photonics, 8, 899-907(2014).

    [3] D AKINWANDE, N PETRONE, J HONE. Two-dimensional flexible nanoelectronics. Nature Communications, 5, 5678(2014).

    [4] W BARSOUM M. The Mn+1AXn phases: a new class of solids.. Progress in Solid State Chemistry, 28, 201-281(2000).

    [5] M LI, B LI Y, K LUO et al. Synthesis of novel MAX Phase Ti3ZnC2via A-site-element-substitution approach. Journal of Inorganic Materials, 34, 60-64(2019).

    [6] M NAGUIB, M KURTOGLU, V PRESSER et al. Two-dimensional nanocrystals produced by exfoliation of Ti3AlC2. Advanced Materials, 23, 4248-4253(2011).

    [7] Y ZHAO, J ZHAO. Functional group-dependent anchoring effect of titanium carbide-based MXenes for lithium-sulfur batteries: a computational study. Applied Surface Science, 412, 591-598(2017).

    [8] S SIM E, S YI G, M JE et al. Understanding the anchoring behavior of titanium carbide-based MXenes depending on the functional group in LiS batteries: a density functional theory study. Journal of Power Sources, 342, 64-69(2017).

    [9] X ZHANG, J LEI, D WU et al. A Ti-anchored Ti2CO2 monolayer (MXene) as a single-atom catalyst for CO oxidation. Journal of Materials Chemistry A, 4, 4871-4876(2016).

    [10] X ZHANG, Z ZHANG, J LI et al. Ti2CO2 MXene: a highly active and selective photocatalyst for CO2 reduction. Journal of Materials Chemistry A, 5, 12899-12903(2017).

    [11] Q ZHAO M, E REN C, Z LING et al. Flexible MXene/carbon nanotube composite paper with high volumetric capacitance. Advanced Materials, 27, 339-345(2015).

    [12] Q XU, L DING, Y WEN et al. High photoluminescence quantum yield of 18.7% by using nitrogen-doped Ti3C2 MXene quantum dots. Journal of Materials Chemistry C, 6, 6360-6369(2018).

    [13] L ZHANG, W SU, H SHU et al. Tuning the photoluminescence of large Ti3C2Tx MXene flakes. Ceramics International, 45, 11468-11474(2019).

    [14] H ZHA X, J ZHOU, Y ZHOU et al. Promising electron mobility and high thermal conductivity in Sc2CT2(T=F, OH) MXenes. Nanoscale, 8, 6110-6117(2016).

    [15] H ZHA X, C REN J, L FENG et al. Bipolar magnetic semiconductors among intermediate states during the conversion from Sc2C(OH)2 to Sc2CO2 MXene. Nanoscale, 10, 8763-8771(2018).

    [16] J ZHOU, H ZHA X, M YILDIZHAN et al. Two-dmensional hydroxyl-functionalized and carbon-deficient scandium carbide, ScCxOH, a direct band gap semiconductor. ACS Nano, 13, 1195-1203(2019).

    [17] M FAN, L WANG, Y ZHANG et al. Research progress of MXene materials in radioactive element and heavy metal ion sequestration. Scientia Sinica Chimica, 49, 27(2019).

    [18] M NAGUIB, O MASHTALIR, J CARLE et al. Two-dimensional transition metal carbides. ACS Nano, 6, 1322-1331(2012).

    [19] P URBANKOWSKI, B ANASORI, T MAKARYAN et al. Synthesis of two-dimensional titanium nitride Ti4N3(MXene). Nanoscale, 8, 11385-11391(2016).

    [20] J ZHOU, X ZHA, Y CHEN F et al. A two-dimensional zirconium carbide by selective etching of Al3C3 from nanolaminated Zr3Al3C5. Angewandte Chemie International Edition, 55, 5008-5013(2016).

    [21] J ZHOU, X ZHA, X ZHOU et al. Synthesis and electrochemical properties of two-dimensional hafnium carbide. ACS Nano, 11, 3841-3850(2017).

    [22] M NAGUIB, J HALIM, J LU et al. New two-dimensional niobium and vanadium carbides as promising materials for Li-ion batteries. Journal of the American Chemical Society, 135, 15966-15969(2013).

    [23] J HALIM, S KOTA, R LUKATSKAYA M et al. Synthesis and characterization of 2D molybdenum carbide (MXene). Advanced Functional Materials, 26, 3118-3127(2016).

    [24] M GHIDIU, M NAGUIB, C SHI et al. Synthesis and characterization of two-dimensional Nb4C3(MXene). Chemical Communications, 50, 9517-9520(2014).

    [25] Q LIU G, J JIANG X, J ZHOU et al. Synthesis and theoretical study of conductive Mo1.33CT2 MXene. Journal of Inorganic Materials, 34, 775-780(2019).

    [26] M KHAZAEI, M ARAI, T SASAKI et al. Novel electronic and magnetic properties of two-dimensional transition metal carbides and nitrides. Advanced Functional Materials, 23, 2185-2192(2013).

    [27] M LI, J LU, K LUO et al. Element replacement approach by reaction with lewis acidic molten salts to synthesize nanolaminated MAX phases and MXenes. Journal of the American Chemical Society, 141, 4730-4737(2019).

    [28] H ZHANG, G YANG, X ZUO et al. Computational studies on the structural, electronic and optical properties of graphene-like MXenes (M2CT2, M = Ti, Zr, Hf; T = O, F, OH) and their potential applications as visible-light driven photocatalysts. Journal of Materials Chemistry A, 4, 12913-12920(2016).

    [29] Y UĞUR, Ö AYBERK, P NIHANi K et al. Vibrational and mechanical properties of single layer MXene structures: a first- principles investigation. Nanotechnology, 27, 335702(2016).

    [30] P CHAKRABORTY, T DAS, D NAFDAY et al. Manipulating the mechanical properties of Ti2C MXene: effect of substitutional doping. Physical Review B, 95, 184106(2017).

    [31] Z GUO, J ZHOU, C SI et al. Flexible two-dimensional Tin+1Cn (n= 1, 2 and 3) and their functionalized MXenes predicted by density functional theories. Physical Chemistry Chemical Physics, 17, 15348-15354(2015).

    [32] E MAPASHA R, P MOLEPO M, C ANDREW R et al. Defect charge states in Si doped hexagonal boron-nitride monolayer. Journal of Physics: Condensed Matter, 28, 055501(2016).

    [33] S SALEHI, A SAFFARZADEH. Atomic defect states in monolayers of MoS2 and WS2. Surface Science, 651, 215-221(2016).

    [34] L FENG, H ZHA X, K LUO et al. Structures and mechanical and electronic properties of the Ti2CO2 MXene incorporated with neighboring elements (Sc, V, B and N). Journal of Electronic Materials, 46, 2460-2466(2017).

    [35] J LI, Y DU, C HUO et al. Thermal stability of two-dimensional Ti2C nanosheets. Ceramics International, 41, 2631-2635(2015).

    [36] Y ZHOU, G ZHAI, T YAN et al. Effects of different surface functionalization and doping on the electronic transport properties of M2CTx-M2CO2 heterojunction devices. The Journal of Physical Chemistry C, 122, 14908-14917(2018).

    [37] Y ZHANG, H ZHA X, K LUO et al. Tuning the electrical conductivity of Ti2CO2 MXene by varying the layer thickness and applying strains. The Journal of Physical Chemistry C, 123, 6802-6811(2019).

    [38] Y ZHOU, K LUO, X ZHA et al. Electronic and transport properties of Ti2CO2 MXene nanoribbons. The Journal of Physical Chemistry C, 120, 17143-17152(2016).

    [39] Y WANG C, H H, Y L GUO. Stabilities and electronic properties of vacancy-doped Ti2CO2. Computational Materials Science, 159, 127-135(2019).

    [40] G KRESSE, J FURTHMÜLLER. Efficient iterative schemes for ab initi. total-energy calculations using a plane-wave basis set. Physical Review B, 54, 11169-11186(1996).

    [41] E BLÖCHL P. Projector augmented-wave method. Physical Review B, 50, 17953-17979(1994).

    [42] P PERDEW J, K BURKE, M ERNZERHOF. Generalized gradient approximation made simple. Physical Review Letters, 77, 3865-3868(1996).

    [43] A BANDYOPADHYAY, D GHOSH, K PATI S. Effects of point defects on the magnetoelectronic structures of MXenes from first principles. Physical Chemistry Chemical Physics, 20, 4012-4019(2018).

    [44] Y XIE, C KENT P R. Hybrid density functional study of structural and electronic properties of functionalized Ti. Physical Review B, 87, 235441(2013).

    [45] F YU X, B CHENG J, B LIU Z et al. The band gap modulation of monolayer Ti2CO2 by strain. RSC Advances, 5, 30438-30444(2015).

    Tools

    Get Citation

    Copy Citation Text

    Chang-Ying WANG, Yu-Chang LU, Cui-Lan REN, Gang WANG, Ping HUAI. Theoretical Studies on the Modulation of the Electronic Property of Ti2CO2 by Electric Field, Strain and Charge States[J]. Journal of Inorganic Materials, 2020, 35(1): 73

    Download Citation

    EndNote(RIS)BibTexPlain Text
    Set citation alerts for article
    Save article for my favorites
    Paper Information

    Category: RESEARCH PAPER

    Received: Jun. 6, 2019

    Accepted: --

    Published Online: Feb. 24, 2021

    The Author Email: REN Cui-Lan (rencuilan@sinap.ac.cn), HUAI Ping (huaiping@sinap.ac.cn)

    DOI:10.15541/jim20190278

    Topics

    laser devices and laser physics
    Lasers and Laser Optics
    Laser physics
    laser manufacturing
    Instrumentation, Measurement and Metrology