DOI: 10.1039/c4ta06557c. Computational studies on structural and electronic properties of functionalized MXene monolayers and nanotubes

Computational studies on structural and electronic properties of functionalized MXene monolayers and nanotubes

10.1039/c4ta06557c

Crossref journal-article

Royal Society of Chemistry (RSC)

Journal of Materials Chemistry A (292)

Abstract

This work discloses that the electronic properties of MXenes can be controlled by rolling layers into 10 different types of nanotubes.

Bibliography

Zhang, X., Ma, Z., Zhao, X., Tang, Q., & Zhou, Z. (2015). Computational studies on structural and electronic properties of functionalized MXene monolayers and nanotubes. Journal of Materials Chemistry A, 3(9), 4960â4966.

Authors 5

Xu Zhang (first)
Zhinan Ma (additional)
Xudong Zhao (additional)
Qing Tang (additional)
Zhen Zhou (additional)

References 50 Referenced 145

10.1073/pnas.0502848102 / Proc. Natl. Acad. Sci. U. S. A. by Novoselov (2005)
10.1103/PhysRevLett.102.195505 / Phys. Rev. Lett. by Jin (2009)
10.1021/nl103251m / Nano Lett. by Zeng (2010)
10.1002/anie.201106004 / Angew. Chem., Int. Ed. by Zeng (2011)
10.1002/anie.201105364 / Angew. Chem., Int. Ed. by Zhou (2011)
10.1021/jz3012436 / J. Phys. Chem. Lett. by Duerloo (2012)
10.1039/b919647a / Chem. Commun. by Amo-Ochoa (2010)
10.1021/ja312380b / J. Am. Chem. Soc. by Kambe (2013)
10.1038/nnano.2008.199 / Nat. Nanotechnol. by Du (2008)
10.1016/j.pmatsci.2013.04.003 / Prog. Mater. Sci. by Tang (2013)
10.1039/C4TA01033G / J. Mater. Chem. A by Jing (2014)
10.1021/nl300183e / Nano Lett. by Barboza (2012)
10.1021/ja805545x / J. Am. Chem. Soc. by Li (2008)
10.1016/S0079-6786(00)00006-6 / Prog. Solid State Chem. by Barsoum (2000)
10.1016/j.surfcoat.2004.08.174 / Surf. Coat. Technol. by Högberg (2005)
10.1146/annurev-matsci-082908-145340 / Annu. Rev. Mater. Res. by Wang (2009)
10.1016/j.tsf.2009.07.184 / Thin Solid Films by Eklund (2010)
M. W. Barsoum , MAX Phases: Properties of Machinable Ternary Carbides and Nitrides, John Wiley & Sons, 2013 (10.1002/9783527654581) / MAX Phases: Properties of Machinable Ternary Carbides and Nitrides by Barsoum (2013)
10.1146/annurev-matsci-062910-100448 / Annu. Rev. Mater. Res. by Barsoum (2011)
10.1002/adma.201304138 / Adv. Mater. by Naguib (2014)
10.1002/adma.201102306 / Adv. Mater. by Naguib (2011)
10.1021/nn204153h / ACS Nano by Naguib (2012)
10.1016/j.matlet.2013.07.102 / Mater. Lett. by Chang (2013)
10.1039/C4CC03366C / Chem. Commun. by Ghidiu (2014)
10.1021/ja500506k / J. Am. Chem. Soc. by Peng (2014)
10.1016/j.elecom.2012.01.002 / Electrochem. Commun. by Naguib (2012)
10.1021/ja308463r / J. Am. Chem. Soc. by Tang (2012)
10.1021/ja405735d / J. Am. Chem. Soc. by Naguib (2013)
10.1021/jp500861n / J. Phys. Chem. C by Ma (2014)
10.1126/science.1241488 / Science by Lukatskaya (2013)
10.1070/RC2013v082n08ABEH004398 / Russ. Chem. Rev. by Ivanovskii (2013)
10.1021/ja501520b / J. Am. Chem. Soc. by Xie (2014)
10.1021/am501144q / ACS Appl. Mater. Interfaces by Er (2014)
10.1021/nn503921j / ACS Nano by Xie (2014)
10.1126/science.1060470 / Science by Tang (2001)
10.1103/PhysRevLett.84.4613 / Phys. Rev. Lett. by Berber (2000)
10.1063/1.1786370 / Appl. Phys. Lett. by Long (2004)
10.1002/adfm.200801242 / Adv. Funct. Mater. by Masarapu (2009)
10.1016/j.physe.2005.08.004 / Phys. E by Enyashin (2005)
10.1016/j.chemphys.2009.06.004 / Chem. Phys. by Enyashin (2009)
10.1016/j.comptc.2012.02.034 / Comput. Theor. Chem. by Enyashin (2012)
10.1016/j.ijhydene.2014.05.037 / Int. J. Hydrogen Energy by Hu (2014)
10.1103/PhysRevB.58.7260 / Phys. Rev. B: Condens. Matter Mater. Phys. by Elstner (1998)
10.1021/jp069056r / J. Phys. Chem. A by Seifert (2007)
10.1021/jp401820b / J. Phys. Chem. C by Enyashin (2013)
10.1016/j.jssc.2013.09.010 / J. Solid State Chem. by Enyashin (2013)
{'key': 'C4TA06557C-(cit47)/*[position()=1]', 'first-page': '2717', 'volume': '14', 'author': 'Segall', 'year': '2002', 'journal-title': 'J. Phys.: Condens. Matter'} / J. Phys.: Condens. Matter by Segall (2002)
10.1103/PhysRevLett.45.566 / Phys. Rev. Lett. by Ceperley (1980)
10.1103/PhysRevB.23.5048 / Phys. Rev. B: Condens. Matter Mater. Phys. by Perdew (1981)
10.1002/adfm.201202502 / Adv. Funct. Mater. by Khazaei (2013)

Dates

Type	When
Created	10 years, 7 months ago (Jan. 12, 2015, 8:03 a.m.)
Deposited	1 year, 4 months ago (April 17, 2024, 1:22 p.m.)
Indexed	5 days, 19 hours ago (Aug. 27, 2025, 12:05 p.m.)
Issued	10 years, 8 months ago (Jan. 1, 2015)
Published	10 years, 8 months ago (Jan. 1, 2015)
Published Online	10 years, 8 months ago (Jan. 1, 2015)

Funders 0

None

BibTeX

@article{Zhang_2015, title={Computational studies on structural and electronic properties of functionalized MXene monolayers and nanotubes}, volume={3}, ISSN={2050-7496}, url={http://dx.doi.org/10.1039/c4ta06557c}, DOI={10.1039/c4ta06557c}, number={9}, journal={Journal of Materials Chemistry A}, publisher={Royal Society of Chemistry (RSC)}, author={Zhang, Xu and Ma, Zhinan and Zhao, Xudong and Tang, Qing and Zhou, Zhen}, year={2015}, pages={4960–4966} }

JSON

{
  "indexed": {
    "date-parts": [
      [
        2025,
        8,
        27
      ]
    ],
    "date-time": "2025-08-27T16:05:21Z",
    "timestamp": 1756310721094
  },
  "reference-count": 50,
  "publisher": "Royal Society of Chemistry (RSC)",
  "issue": "9",
  "content-domain": {
    "domain": [
      "rsc.org"
    ],
    "crossmark-restriction": true
  },
  "abstract": "<p>This work discloses that the electronic properties of MXenes can be controlled by rolling layers into 10 different types of nanotubes.</p>",
  "DOI": "10.1039/c4ta06557c",
  "type": "journal-article",
  "created": {
    "date-parts": [
      [
        2015,
        1,
        12
      ]
    ],
    "date-time": "2015-01-12T13:03:37Z",
    "timestamp": 1421067817000
  },
  "page": "4960-4966",
  "update-policy": "http://dx.doi.org/10.1039/rsc_crossmark_policy",
  "source": "Crossref",
  "is-referenced-by-count": 145,
  "title": "Computational studies on structural and electronic properties of functionalized MXene monolayers and nanotubes",
  "prefix": "10.1039",
  "volume": "3",
  "author": [
    {
      "given": "Xu",
      "family": "Zhang",
      "sequence": "first",
      "affiliation": [
        {
          "name": "Tianjin Key Laboratory of Metal and Molecule Based Material Chemistry"
        },
        {
          "name": "Key Laboratory of Advanced Energy Materials Chemistry (Ministry of Education)"
        },
        {
          "name": "Computational Centre for Molecular Science"
        },
        {
          "name": "Institute of New Energy Material Chemistry"
        },
        {
          "name": "Collaborative Innovation Centre of Chemical Science and Engineering (Tianjin)"
        }
      ]
    },
    {
      "given": "Zhinan",
      "family": "Ma",
      "sequence": "additional",
      "affiliation": [
        {
          "name": "Tianjin Key Laboratory of Metal and Molecule Based Material Chemistry"
        },
        {
          "name": "Key Laboratory of Advanced Energy Materials Chemistry (Ministry of Education)"
        },
        {
          "name": "Computational Centre for Molecular Science"
        },
        {
          "name": "Institute of New Energy Material Chemistry"
        },
        {
          "name": "Collaborative Innovation Centre of Chemical Science and Engineering (Tianjin)"
        }
      ]
    },
    {
      "given": "Xudong",
      "family": "Zhao",
      "sequence": "additional",
      "affiliation": [
        {
          "name": "Tianjin Key Laboratory of Metal and Molecule Based Material Chemistry"
        },
        {
          "name": "Key Laboratory of Advanced Energy Materials Chemistry (Ministry of Education)"
        },
        {
          "name": "Computational Centre for Molecular Science"
        },
        {
          "name": "Institute of New Energy Material Chemistry"
        },
        {
          "name": "Collaborative Innovation Centre of Chemical Science and Engineering (Tianjin)"
        }
      ]
    },
    {
      "given": "Qing",
      "family": "Tang",
      "sequence": "additional",
      "affiliation": [
        {
          "name": "Tianjin Key Laboratory of Metal and Molecule Based Material Chemistry"
        },
        {
          "name": "Key Laboratory of Advanced Energy Materials Chemistry (Ministry of Education)"
        },
        {
          "name": "Computational Centre for Molecular Science"
        },
        {
          "name": "Institute of New Energy Material Chemistry"
        },
        {
          "name": "Collaborative Innovation Centre of Chemical Science and Engineering (Tianjin)"
        }
      ]
    },
    {
      "given": "Zhen",
      "family": "Zhou",
      "sequence": "additional",
      "affiliation": [
        {
          "name": "Tianjin Key Laboratory of Metal and Molecule Based Material Chemistry"
        },
        {
          "name": "Key Laboratory of Advanced Energy Materials Chemistry (Ministry of Education)"
        },
        {
          "name": "Computational Centre for Molecular Science"
        },
        {
          "name": "Institute of New Energy Material Chemistry"
        },
        {
          "name": "Collaborative Innovation Centre of Chemical Science and Engineering (Tianjin)"
        }
      ]
    }
  ],
  "member": "292",
  "published-online": {
    "date-parts": [
      [
        2015
      ]
    ]
  },
  "reference": [
    {
      "key": "C4TA06557C-(cit1)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "10451",
      "DOI": "10.1073/pnas.0502848102",
      "volume": "102",
      "author": "Novoselov",
      "year": "2005",
      "journal-title": "Proc. Natl. Acad. Sci. U. S. A."
    },
    {
      "key": "C4TA06557C-(cit2)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "195505",
      "DOI": "10.1103/PhysRevLett.102.195505",
      "volume": "102",
      "author": "Jin",
      "year": "2009",
      "journal-title": "Phys. Rev. Lett."
    },
    {
      "key": "C4TA06557C-(cit3)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "5049",
      "DOI": "10.1021/nl103251m",
      "volume": "10",
      "author": "Zeng",
      "year": "2010",
      "journal-title": "Nano Lett."
    },
    {
      "key": "C4TA06557C-(cit4)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "11093",
      "DOI": "10.1002/anie.201106004",
      "volume": "50",
      "author": "Zeng",
      "year": "2011",
      "journal-title": "Angew. Chem., Int. Ed."
    },
    {
      "key": "C4TA06557C-(cit5)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "10839",
      "DOI": "10.1002/anie.201105364",
      "volume": "50",
      "author": "Zhou",
      "year": "2011",
      "journal-title": "Angew. Chem., Int. Ed."
    },
    {
      "key": "C4TA06557C-(cit6)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "2871",
      "DOI": "10.1021/jz3012436",
      "volume": "3",
      "author": "Duerloo",
      "year": "2012",
      "journal-title": "J. Phys. Chem. Lett."
    },
    {
      "key": "C4TA06557C-(cit7)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "3262",
      "DOI": "10.1039/b919647a",
      "volume": "46",
      "author": "Amo-Ochoa",
      "year": "2010",
      "journal-title": "Chem. Commun."
    },
    {
      "key": "C4TA06557C-(cit8)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "2462",
      "DOI": "10.1021/ja312380b",
      "volume": "135",
      "author": "Kambe",
      "year": "2013",
      "journal-title": "J. Am. Chem. Soc."
    },
    {
      "key": "C4TA06557C-(cit9)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "491",
      "DOI": "10.1038/nnano.2008.199",
      "volume": "3",
      "author": "Du",
      "year": "2008",
      "journal-title": "Nat. Nanotechnol."
    },
    {
      "key": "C4TA06557C-(cit10)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "1244",
      "DOI": "10.1016/j.pmatsci.2013.04.003",
      "volume": "58",
      "author": "Tang",
      "year": "2013",
      "journal-title": "Prog. Mater. Sci."
    },
    {
      "key": "C4TA06557C-(cit11)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "12104",
      "DOI": "10.1039/C4TA01033G",
      "volume": "2",
      "author": "Jing",
      "year": "2014",
      "journal-title": "J. Mater. Chem. A"
    },
    {
      "key": "C4TA06557C-(cit12)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "2313",
      "DOI": "10.1021/nl300183e",
      "volume": "12",
      "author": "Barboza",
      "year": "2012",
      "journal-title": "Nano Lett."
    },
    {
      "key": "C4TA06557C-(cit13)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "16739",
      "DOI": "10.1021/ja805545x",
      "volume": "130",
      "author": "Li",
      "year": "2008",
      "journal-title": "J. Am. Chem. Soc."
    },
    {
      "key": "C4TA06557C-(cit14)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "201",
      "DOI": "10.1016/S0079-6786(00)00006-6",
      "volume": "28",
      "author": "Barsoum",
      "year": "2000",
      "journal-title": "Prog. Solid State Chem."
    },
    {
      "key": "C4TA06557C-(cit15)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "6",
      "DOI": "10.1016/j.surfcoat.2004.08.174",
      "volume": "193",
      "author": "H\u00f6gberg",
      "year": "2005",
      "journal-title": "Surf. Coat. Technol."
    },
    {
      "key": "C4TA06557C-(cit16)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "415",
      "DOI": "10.1146/annurev-matsci-082908-145340",
      "volume": "39",
      "author": "Wang",
      "year": "2009",
      "journal-title": "Annu. Rev. Mater. Res."
    },
    {
      "key": "C4TA06557C-(cit17)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "1851",
      "DOI": "10.1016/j.tsf.2009.07.184",
      "volume": "518",
      "author": "Eklund",
      "year": "2010",
      "journal-title": "Thin Solid Films"
    },
    {
      "key": "C4TA06557C-(cit18)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "DOI": "10.1002/9783527654581",
      "volume-title": "MAX Phases: Properties of Machinable Ternary Carbides and Nitrides",
      "author": "Barsoum",
      "year": "2013",
      "unstructured": "M. W.\n            Barsoum\n          , MAX Phases: Properties of Machinable Ternary Carbides and Nitrides, John Wiley & Sons, 2013"
    },
    {
      "key": "C4TA06557C-(cit19)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "195",
      "DOI": "10.1146/annurev-matsci-062910-100448",
      "volume": "41",
      "author": "Barsoum",
      "year": "2011",
      "journal-title": "Annu. Rev. Mater. Res."
    },
    {
      "key": "C4TA06557C-(cit20)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "992",
      "DOI": "10.1002/adma.201304138",
      "volume": "26",
      "author": "Naguib",
      "year": "2014",
      "journal-title": "Adv. Mater."
    },
    {
      "key": "C4TA06557C-(cit21)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "4248",
      "DOI": "10.1002/adma.201102306",
      "volume": "23",
      "author": "Naguib",
      "year": "2011",
      "journal-title": "Adv. Mater."
    },
    {
      "key": "C4TA06557C-(cit22)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "1322",
      "DOI": "10.1021/nn204153h",
      "volume": "6",
      "author": "Naguib",
      "year": "2012",
      "journal-title": "ACS Nano"
    },
    {
      "key": "C4TA06557C-(cit23)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "295",
      "DOI": "10.1016/j.matlet.2013.07.102",
      "volume": "109",
      "author": "Chang",
      "year": "2013",
      "journal-title": "Mater. Lett."
    },
    {
      "key": "C4TA06557C-(cit24)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "9517",
      "DOI": "10.1039/C4CC03366C",
      "volume": "50",
      "author": "Ghidiu",
      "year": "2014",
      "journal-title": "Chem. Commun."
    },
    {
      "key": "C4TA06557C-(cit25)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "4113",
      "DOI": "10.1021/ja500506k",
      "volume": "136",
      "author": "Peng",
      "year": "2014",
      "journal-title": "J. Am. Chem. Soc."
    },
    {
      "key": "C4TA06557C-(cit26)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "61",
      "DOI": "10.1016/j.elecom.2012.01.002",
      "volume": "16",
      "author": "Naguib",
      "year": "2012",
      "journal-title": "Electrochem. Commun."
    },
    {
      "key": "C4TA06557C-(cit27)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "16909",
      "DOI": "10.1021/ja308463r",
      "volume": "134",
      "author": "Tang",
      "year": "2012",
      "journal-title": "J. Am. Chem. Soc."
    },
    {
      "key": "C4TA06557C-(cit28)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "15966",
      "DOI": "10.1021/ja405735d",
      "volume": "135",
      "author": "Naguib",
      "year": "2013",
      "journal-title": "J. Am. Chem. Soc."
    },
    {
      "key": "C4TA06557C-(cit29)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "5593",
      "DOI": "10.1021/jp500861n",
      "volume": "118",
      "author": "Ma",
      "year": "2014",
      "journal-title": "J. Phys. Chem. C"
    },
    {
      "key": "C4TA06557C-(cit30)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "1502",
      "DOI": "10.1126/science.1241488",
      "volume": "341",
      "author": "Lukatskaya",
      "year": "2013",
      "journal-title": "Science"
    },
    {
      "key": "C4TA06557C-(cit31)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "735",
      "DOI": "10.1070/RC2013v082n08ABEH004398",
      "volume": "82",
      "author": "Ivanovskii",
      "year": "2013",
      "journal-title": "Russ. Chem. Rev."
    },
    {
      "key": "C4TA06557C-(cit32)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "6385",
      "DOI": "10.1021/ja501520b",
      "volume": "136",
      "author": "Xie",
      "year": "2014",
      "journal-title": "J. Am. Chem. Soc."
    },
    {
      "key": "C4TA06557C-(cit33)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "11173",
      "DOI": "10.1021/am501144q",
      "volume": "6",
      "author": "Er",
      "year": "2014",
      "journal-title": "ACS Appl. Mater. Interfaces"
    },
    {
      "key": "C4TA06557C-(cit34)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "9606",
      "DOI": "10.1021/nn503921j",
      "volume": "8",
      "author": "Xie",
      "year": "2014",
      "journal-title": "ACS Nano"
    },
    {
      "key": "C4TA06557C-(cit35)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "2462",
      "DOI": "10.1126/science.1060470",
      "volume": "292",
      "author": "Tang",
      "year": "2001",
      "journal-title": "Science"
    },
    {
      "key": "C4TA06557C-(cit36)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "4613",
      "DOI": "10.1103/PhysRevLett.84.4613",
      "volume": "84",
      "author": "Berber",
      "year": "2000",
      "journal-title": "Phys. Rev. Lett."
    },
    {
      "key": "C4TA06557C-(cit37)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "1796",
      "DOI": "10.1063/1.1786370",
      "volume": "85",
      "author": "Long",
      "year": "2004",
      "journal-title": "Appl. Phys. Lett."
    },
    {
      "key": "C4TA06557C-(cit38)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "1008",
      "DOI": "10.1002/adfm.200801242",
      "volume": "19",
      "author": "Masarapu",
      "year": "2009",
      "journal-title": "Adv. Funct. Mater."
    },
    {
      "key": "C4TA06557C-(cit39)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "164",
      "DOI": "10.1016/j.physe.2005.08.004",
      "volume": "30",
      "author": "Enyashin",
      "year": "2005",
      "journal-title": "Phys. E"
    },
    {
      "key": "C4TA06557C-(cit40)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "58",
      "DOI": "10.1016/j.chemphys.2009.06.004",
      "volume": "362",
      "author": "Enyashin",
      "year": "2009",
      "journal-title": "Chem. Phys."
    },
    {
      "key": "C4TA06557C-(cit41)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "27",
      "DOI": "10.1016/j.comptc.2012.02.034",
      "volume": "989",
      "author": "Enyashin",
      "year": "2012",
      "journal-title": "Comput. Theor. Chem."
    },
    {
      "key": "C4TA06557C-(cit42)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "10606",
      "DOI": "10.1016/j.ijhydene.2014.05.037",
      "volume": "39",
      "author": "Hu",
      "year": "2014",
      "journal-title": "Int. J. Hydrogen Energy"
    },
    {
      "key": "C4TA06557C-(cit43)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "7260",
      "DOI": "10.1103/PhysRevB.58.7260",
      "volume": "58",
      "author": "Elstner",
      "year": "1998",
      "journal-title": "Phys. Rev. B: Condens. Matter Mater. Phys."
    },
    {
      "key": "C4TA06557C-(cit44)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "5609",
      "DOI": "10.1021/jp069056r",
      "volume": "111",
      "author": "Seifert",
      "year": "2007",
      "journal-title": "J. Phys. Chem. A"
    },
    {
      "key": "C4TA06557C-(cit45)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "13637",
      "DOI": "10.1021/jp401820b",
      "volume": "117",
      "author": "Enyashin",
      "year": "2013",
      "journal-title": "J. Phys. Chem. C"
    },
    {
      "key": "C4TA06557C-(cit46)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "42",
      "DOI": "10.1016/j.jssc.2013.09.010",
      "volume": "207",
      "author": "Enyashin",
      "year": "2013",
      "journal-title": "J. Solid State Chem."
    },
    {
      "key": "C4TA06557C-(cit47)/*[position()=1]",
      "first-page": "2717",
      "volume": "14",
      "author": "Segall",
      "year": "2002",
      "journal-title": "J. Phys.: Condens. Matter"
    },
    {
      "key": "C4TA06557C-(cit48)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "566",
      "DOI": "10.1103/PhysRevLett.45.566",
      "volume": "45",
      "author": "Ceperley",
      "year": "1980",
      "journal-title": "Phys. Rev. Lett."
    },
    {
      "key": "C4TA06557C-(cit49)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "5048",
      "DOI": "10.1103/PhysRevB.23.5048",
      "volume": "23",
      "author": "Perdew",
      "year": "1981",
      "journal-title": "Phys. Rev. B: Condens. Matter Mater. Phys."
    },
    {
      "key": "C4TA06557C-(cit50)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "2185",
      "DOI": "10.1002/adfm.201202502",
      "volume": "23",
      "author": "Khazaei",
      "year": "2013",
      "journal-title": "Adv. Funct. Mater."
    }
  ],
  "container-title": "Journal of Materials Chemistry A",
  "original-title": [],
  "language": "en",
  "link": [
    {
      "URL": "http://pubs.rsc.org/en/content/articlepdf/2015/TA/C4TA06557C",
      "content-type": "unspecified",
      "content-version": "vor",
      "intended-application": "similarity-checking"
    }
  ],
  "deposited": {
    "date-parts": [
      [
        2024,
        4,
        17
      ]
    ],
    "date-time": "2024-04-17T17:22:48Z",
    "timestamp": 1713374568000
  },
  "score": 1,
  "resource": {
    "primary": {
      "URL": "https://xlink.rsc.org/?DOI=C4TA06557C"
    }
  },
  "subtitle": [],
  "short-title": [],
  "issued": {
    "date-parts": [
      [
        2015
      ]
    ]
  },
  "references-count": 50,
  "journal-issue": {
    "issue": "9",
    "published-print": {
      "date-parts": [
        [
          2015
        ]
      ]
    }
  },
  "URL": "http://dx.doi.org/10.1039/C4TA06557C",
  "relation": {},
  "ISSN": [
    "2050-7488",
    "2050-7496"
  ],
  "subject": [],
  "container-title-short": "J. Mater. Chem. A",
  "published": {
    "date-parts": [
      [
        2015
      ]
    ]
  },
  "assertion": [
    {
      "value": "This document is Similarity Check deposited",
      "name": "similarity_check",
      "explanation": {
        "URL": "https://www.crossref.org/services/similarity-check/"
      },
      "group": {
        "name": "similarity_check",
        "label": "SIMILARITY CHECK"
      }
    },
    {
      "value": "Supplementary Information",
      "URL": "https://doi.org/10.1039/C4TA06557C",
      "name": "related_data",
      "group": {
        "name": "related_data",
        "label": "RELATED DATA"
      }
    },
    {
      "value": "The Royal Society of Chemistry has an exclusive publication licence for this journal",
      "name": "copyright_licence",
      "group": {
        "name": "copyright_licensing",
        "label": "COPYRIGHT AND LICENSING"
      }
    },
    {
      "value": "Single-blind",
      "order": 2,
      "name": "peer_review_method",
      "group": {
        "name": "peer_review_method",
        "label": "PEER REVIEW METHOD"
      }
    },
    {
      "value": "Received 29 November 2014; Accepted 9 January 2015;  Accepted Manuscript published 12 January 2015;  Advance Article published 30 January 2015;  Version of Record published 17 February 2015",
      "order": 1,
      "name": "history",
      "group": {
        "name": "publication_history",
        "label": "PUBLICATION HISTORY"
      }
    }
  ]
}