DOI: 10.1021/jp2062207. Time-Dependent Density Functional Theory Study on Benzothiadiazole-Based Low-Band-Gap Fused-Ring Copolymers for Organic Solar Cell Applications

Time-Dependent Density Functional Theory Study on Benzothiadiazole-Based Low-Band-Gap Fused-Ring Copolymers for Organic Solar Cell Applications

10.1021/jp2062207

Crossref journal-article

American Chemical Society (ACS)

The Journal of Physical Chemistry C (316)

Bibliography

Ku, J., Lansac, Y., & Jang, Y. H. (2011). Time-Dependent Density Functional Theory Study on Benzothiadiazole-Based Low-Band-Gap Fused-Ring Copolymers for Organic Solar Cell Applications. The Journal of Physical Chemistry C, 115(43), 21508â21516.

Authors 3

Jamin Ku (first)
Yves Lansac (additional)
Yun Hee Jang (additional)

References 88 Referenced 114

10.1126/science.270.5243.1789 / Science by Yu G. (1995)
10.1002/adfm.200500211 / Adv. Funct. Mater. by Ma W. (2005)
10.1038/nmat1500 / Nat. Mater. by Li G. (2005)
10.1021/cr050149z / Chem. Rev. by Gunes S. (2007)
10.1002/anie.200702506 / Angew. Chem., Int. Ed. by Thompson B. C. (2008)
10.1021/cr900182s / Chem. Rev. by Cheng Y.-J. (2009)
10.1002/adma.200801283 / Adv. Mater. by Dennler G. (2009)
10.1038/nmat1928 / Nat. Mater. by Peet J. (2007)
10.1002/adma.200600160 / Adv. Mater. by Muhlbacher D. (2006)
10.1002/adma.200501717 / Adv. Mater. by Scharber M. C. (2006)
10.1002/adfm.200600199 / Adv. Funct. Mater. by Soci C. (2007)
10.1126/science.1141711 / Science by Kim J. Y. (2007)
10.1038/nphoton.2009.69 / Nat. Photonics by Park S. H. (2009)
10.1038/nphoton.2009.192 / Nat. Photonics by Chen H.-Y. (2009)
10.1002/anie.200906934 / Angew. Chem., Int. Ed. by Huo L. (2010)
10.1016/S0927-796X(00)00029-2 / Mater. Sci. Eng. R by van Mullekom H. A. M. (2001)
10.1103/PhysRevB.63.165213 / Phys. Rev. B by Stevens M. A. (2001)
10.1021/cm049585c / Chem. Mater. by Kim Y. (2004)
10.1021/ja051891j / J. Am. Chem. Soc. by Donley C. L. (2005)
10.1002/adma.200601080 / Adv. Mater. by Zaumseil J. (2006)
10.1016/j.polymer.2005.11.058 / Polymer by Wu W. C. (2006)
10.1021/jp809589n / J. Phys. Chem. C by Kim H. (2009)
10.1016/j.theochem.2007.04.014 / THEOCHEM by Yang L. (2007)
10.1021/ma0255130 / Macromolecules by Huang J. (2002)
10.1002/pola.22478 / J. Polym. Sci., Part A: Polym. Chem. by Du J. (2008)
10.1021/ma010152u / Macromolecules by Morin J.-F. (2001)
10.1002/adma.200602496 / Adv. Mater. by Blouin N. (2007)
10.1021/ja0771989 / J. Am. Chem. Soc. by Blouin N. (2008)
10.1021/cm8031175 / Chem. Mater. by Aich R. B. (2009)
10.1039/b412143k / J. Mater. Chem. by Coppo P. (2005)
10.1021/ja0683537 / J. Am. Chem. Soc. by Zhang M. (2007)
10.1021/ma062376o / Macromolecules by Zhu Z. (2007)
10.1002/adma.200602437 / Adv. Mater. by Hwang I. W. (2007)
10.1002/pola.23601 / J. Polym. Sci., Part A: Polym. Chem. by Zhang S. (2009)
10.1002/adfm.200901473 / Adv. Funct. Mater. by Koppe M. (2010)
10.1039/b818885h / J. Mater. Chem. by Yue W. (2009)
10.1021/ma902164q / Macromolecules by Price S. C. (2010)
10.1103/PhysRevLett.52.997 / Phys. Rev. Lett. by Runge E. (1984)
10.1063/1.477483 / J. Chem. Phys. by Stratmann R. E. (1998)
10.1063/1.475855 / J. Chem. Phys. by Casida M. E. (1998)
10.1063/1.1904586 / J. Chem. Phys. by Burke K. (2005)
{'key': 'ref42/cit42', 'volume-title': 'Quantum Theory of Molecules and Solids: The Self-Consistent Field for Molecules and Solids', 'volume': '4', 'author': 'Slater J. C.', 'year': '1974'} / Quantum Theory of Molecules and Solids: The Self-Consistent Field for Molecules and Solids by Slater J. C. (1974)
10.1103/PhysRevA.38.3098 / Phys. Rev. A by Becke A. D. (1988)
10.1139/p80-159 / Can. J. Phys. by Vosko S. H. (1980)
10.1103/PhysRevB.37.785 / Phys. Rev. B by Lee C. (1988)
10.1016/0009-2614(89)87234-3 / Chem. Phys. Lett. by Miehlich B. (1989)
10.1103/PhysRevLett.77.3865 / Phys. Rev. Lett. by Perdew J. P. (1996)
10.1103/PhysRevLett.78.1396 / Phys. Rev. Lett. by Perdew J. P. (1997)
10.1016/j.solmat.2007.12.010 / Sol. Energy Mater. Sol. Cells by Zhang L. (2008)
10.1021/cm900788e / Chem. Mater. by Mondal R. (2009)
10.1021/ma102164c / Macromolecules by Biniek L. (2010)
10.1002/adma.200902469 / Adv. Mater. by Chen H.-Y. (2010)
10.1021/ma1026498 / Macromolecules by Pappenfus T. M. (2011)
10.1021/ja039556n / J. Am. Chem. Soc. by Dreuw A. (2004)
10.1063/1.1501131 / J. Chem. Phys. by Cai Z.-L. (2002)
10.1107/S0108270184007368 / Acta Crystallogr., Sect. C by Belsky V. K. (1984)
10.1107/S0567740869001920 / Acta Crystallogr., Sect. B by Clarke P. T. (1969)
10.1021/cm0009118 / Chem. Mater. by Benincori T. (2001)
10.1021/jo034078k / J. Org. Chem. by Ogawa K. (2003)
10.1039/b306171j / Chem. Commun. by Coppo P. (2003)
10.1016/S0022-328X(97)00643-8 / J. Organomet. Chem. by Ohshita J. (1998)
10.1002/chem.200700399 / Chem.–Eur. J. by Dienes Y. (2007)
10.1021/jo010808h / J. Org. Chem. by Suzuki T. (2001)
{'volume-title': 'Jaguar', 'year': '2005', 'key': 'ref64/cit64'} / Jaguar (2005)
10.1063/1.467520 / J. Chem. Phys. by Greeley B. H. (1994)
{'volume-title': 'Gaussian 03', 'year': '2004', 'author': 'Frisch M. J.', 'key': 'ref66/cit66'} / Gaussian 03 by Frisch M. J. (2004)
10.1021/jp9716997 / J. Phys. Chem. A by Barone V. (1998)
10.1002/jcc.10189 / J. Comput. Chem. by Cossi M. (2003)
10.1117/12.416916 / Proc. SPIE by Hong Y. (2001)
10.1038/nchem.403 / Nature Chem. by Coffin R. C. (2009)
10.1016/j.orgel.2005.01.002 / Org. Electron. by D’Andrade B. W. (2005)
10.1103/PhysRevLett.49.1691 / Phys. Rev. Lett. by Perdew J. P. (1982)
10.1103/PhysRevB.56.16021 / Phys. Rev. B by Perdew J. P. (1997)
10.1103/PhysRevB.31.3231 / Phys. Rev. B by Almbladh C.-O. (1985)
10.1021/ja9826892 / J. Am. Chem. Soc. by Stowasser R. (1999)
10.1063/1.1430255 / J. Chem. Phys. by Chong D. P. (2002)
10.1021/jp061633o / J. Phys. Chem. A by Zhang G. (2007)
10.1021/ja0385437 / J. Am. Chem. Soc. by Jang Y. H. (2004)
10.1021/jp800201z / J. Phys. Chem. C by Jang Y. H. (2008)
10.1080/00268970110078335 / Mol. Phys. by Allen M. J. (2002)
10.1063/1.1633756 / J. Chem. Phys. by Tozer D. J. (2003)
10.1016/j.theochem.2007.11.023 / THEOCHEM by Bouzzine S. M. (2008)
10.1021/jo990725p / J. Org. Chem. by Salzner U. (1999)
10.1021/ja806687u / J. Am. Chem. Soc. by Hou J. (2008)
10.1002/adma.200900529 / Adv. Mater. by Scharber M. C. (2010)
10.1021/ja900519k / J. Am. Chem. Soc. by Beaujuge P. M. (2009)
10.1002/adfm.201001271 / Adv. Funct. Mater. by Tong M. (2010)
10.1021/ma0618530 / Macromolecules by Bunnagel T. W. (2006)

Dates

Type	When
Created	13 years, 11 months ago (Sept. 7, 2011, 4:14 a.m.)
Deposited	2 years, 4 months ago (April 22, 2023, 6:41 a.m.)
Indexed	4 months, 1 week ago (April 14, 2025, 3:23 a.m.)
Issued	13 years, 10 months ago (Oct. 7, 2011)
Published	13 years, 10 months ago (Oct. 7, 2011)
Published Online	13 years, 10 months ago (Oct. 7, 2011)
Published Print	13 years, 9 months ago (Nov. 3, 2011)

Funders 0

None

BibTeX

@article{Ku_2011, title={Time-Dependent Density Functional Theory Study on Benzothiadiazole-Based Low-Band-Gap Fused-Ring Copolymers for Organic Solar Cell Applications}, volume={115}, ISSN={1932-7455}, url={http://dx.doi.org/10.1021/jp2062207}, DOI={10.1021/jp2062207}, number={43}, journal={The Journal of Physical Chemistry C}, publisher={American Chemical Society (ACS)}, author={Ku, Jamin and Lansac, Yves and Jang, Yun Hee}, year={2011}, month=oct, pages={21508–21516} }

JSON

{
  "indexed": {
    "date-parts": [
      [
        2025,
        4,
        14
      ]
    ],
    "date-time": "2025-04-14T07:23:27Z",
    "timestamp": 1744615407337
  },
  "reference-count": 88,
  "publisher": "American Chemical Society (ACS)",
  "issue": "43",
  "content-domain": {
    "domain": [],
    "crossmark-restriction": false
  },
  "published-print": {
    "date-parts": [
      [
        2011,
        11,
        3
      ]
    ]
  },
  "DOI": "10.1021/jp2062207",
  "type": "journal-article",
  "created": {
    "date-parts": [
      [
        2011,
        9,
        7
      ]
    ],
    "date-time": "2011-09-07T08:14:07Z",
    "timestamp": 1315383247000
  },
  "page": "21508-21516",
  "source": "Crossref",
  "is-referenced-by-count": 114,
  "title": "Time-Dependent Density Functional Theory Study on Benzothiadiazole-Based Low-Band-Gap Fused-Ring Copolymers for Organic Solar Cell Applications",
  "prefix": "10.1021",
  "volume": "115",
  "author": [
    {
      "given": "Jamin",
      "family": "Ku",
      "sequence": "first",
      "affiliation": [
        {
          "name": "School of Materials Science and Engineering, Gwangju Institute of Science and Technology, Gwangju 500-712, Korea"
        }
      ]
    },
    {
      "given": "Yves",
      "family": "Lansac",
      "sequence": "additional",
      "affiliation": [
        {
          "name": "Laboratoire d\u2019Electrodynamique des Mat\u00e9riaux Avanc\u00e9s, Universit\u00e9 Fran\u00e7ois Rabelais, 37200 Tours, France"
        }
      ]
    },
    {
      "given": "Yun Hee",
      "family": "Jang",
      "sequence": "additional",
      "affiliation": [
        {
          "name": "School of Materials Science and Engineering, Gwangju Institute of Science and Technology, Gwangju 500-712, Korea"
        },
        {
          "name": "Laboratoire d'Electrochimie, Chimie des Interfaces et Mod\u00e9lisation pour l'Energie, Ecole Nationale Sup\u00e9rieure de Chimie de Paris, 75231 Paris, France"
        }
      ]
    }
  ],
  "member": "316",
  "published-online": {
    "date-parts": [
      [
        2011,
        10,
        7
      ]
    ]
  },
  "reference": [
    {
      "key": "ref1/cit1",
      "doi-asserted-by": "crossref",
      "first-page": "1789",
      "DOI": "10.1126/science.270.5243.1789",
      "volume": "270",
      "author": "Yu G.",
      "year": "1995",
      "journal-title": "Science"
    },
    {
      "key": "ref2/cit2",
      "doi-asserted-by": "crossref",
      "first-page": "1617",
      "DOI": "10.1002/adfm.200500211",
      "volume": "15",
      "author": "Ma W.",
      "year": "2005",
      "journal-title": "Adv. Funct. Mater."
    },
    {
      "key": "ref3/cit3",
      "doi-asserted-by": "crossref",
      "first-page": "864",
      "DOI": "10.1038/nmat1500",
      "volume": "4",
      "author": "Li G.",
      "year": "2005",
      "journal-title": "Nat. Mater."
    },
    {
      "key": "ref4/cit4",
      "doi-asserted-by": "crossref",
      "first-page": "1324",
      "DOI": "10.1021/cr050149z",
      "volume": "107",
      "author": "Gunes S.",
      "year": "2007",
      "journal-title": "Chem. Rev."
    },
    {
      "key": "ref5/cit5",
      "doi-asserted-by": "crossref",
      "first-page": "58",
      "DOI": "10.1002/anie.200702506",
      "volume": "47",
      "author": "Thompson B. C.",
      "year": "2008",
      "journal-title": "Angew. Chem., Int. Ed."
    },
    {
      "key": "ref6/cit6",
      "doi-asserted-by": "crossref",
      "first-page": "5868",
      "DOI": "10.1021/cr900182s",
      "volume": "109",
      "author": "Cheng Y.-J.",
      "year": "2009",
      "journal-title": "Chem. Rev."
    },
    {
      "key": "ref7/cit7",
      "doi-asserted-by": "crossref",
      "first-page": "1323",
      "DOI": "10.1002/adma.200801283",
      "volume": "21",
      "author": "Dennler G.",
      "year": "2009",
      "journal-title": "Adv. Mater."
    },
    {
      "key": "ref8/cit8",
      "doi-asserted-by": "crossref",
      "first-page": "497",
      "DOI": "10.1038/nmat1928",
      "volume": "6",
      "author": "Peet J.",
      "year": "2007",
      "journal-title": "Nat. Mater."
    },
    {
      "key": "ref9/cit9",
      "doi-asserted-by": "crossref",
      "first-page": "2884",
      "DOI": "10.1002/adma.200600160",
      "volume": "18",
      "author": "Muhlbacher D.",
      "year": "2006",
      "journal-title": "Adv. Mater."
    },
    {
      "key": "ref10/cit10",
      "doi-asserted-by": "crossref",
      "first-page": "789",
      "DOI": "10.1002/adma.200501717",
      "volume": "18",
      "author": "Scharber M. C.",
      "year": "2006",
      "journal-title": "Adv. Mater."
    },
    {
      "key": "ref11/cit11",
      "doi-asserted-by": "crossref",
      "first-page": "632",
      "DOI": "10.1002/adfm.200600199",
      "volume": "17",
      "author": "Soci C.",
      "year": "2007",
      "journal-title": "Adv. Funct. Mater."
    },
    {
      "key": "ref12/cit12",
      "doi-asserted-by": "crossref",
      "first-page": "222",
      "DOI": "10.1126/science.1141711",
      "volume": "317",
      "author": "Kim J. Y.",
      "year": "2007",
      "journal-title": "Science"
    },
    {
      "key": "ref13/cit13",
      "doi-asserted-by": "crossref",
      "first-page": "297",
      "DOI": "10.1038/nphoton.2009.69",
      "volume": "3",
      "author": "Park S. H.",
      "year": "2009",
      "journal-title": "Nat. Photonics"
    },
    {
      "key": "ref14/cit14",
      "doi-asserted-by": "crossref",
      "first-page": "649",
      "DOI": "10.1038/nphoton.2009.192",
      "volume": "3",
      "author": "Chen H.-Y.",
      "year": "2009",
      "journal-title": "Nat. Photonics"
    },
    {
      "key": "ref15/cit15",
      "doi-asserted-by": "crossref",
      "first-page": "1500",
      "DOI": "10.1002/anie.200906934",
      "volume": "49",
      "author": "Huo L.",
      "year": "2010",
      "journal-title": "Angew. Chem., Int. Ed."
    },
    {
      "key": "ref16/cit16",
      "doi-asserted-by": "crossref",
      "first-page": "1",
      "DOI": "10.1016/S0927-796X(00)00029-2",
      "volume": "32",
      "author": "van Mullekom H. A. M.",
      "year": "2001",
      "journal-title": "Mater. Sci. Eng. R"
    },
    {
      "key": "ref17/cit17",
      "doi-asserted-by": "crossref",
      "first-page": "165213",
      "DOI": "10.1103/PhysRevB.63.165213",
      "volume": "63",
      "author": "Stevens M. A.",
      "year": "2001",
      "journal-title": "Phys. Rev. B"
    },
    {
      "key": "ref18/cit18",
      "doi-asserted-by": "crossref",
      "first-page": "4812",
      "DOI": "10.1021/cm049585c",
      "volume": "16",
      "author": "Kim Y.",
      "year": "2004",
      "journal-title": "Chem. Mater."
    },
    {
      "key": "ref19/cit19",
      "doi-asserted-by": "crossref",
      "first-page": "12890",
      "DOI": "10.1021/ja051891j",
      "volume": "127",
      "author": "Donley C. L.",
      "year": "2005",
      "journal-title": "J. Am. Chem. Soc."
    },
    {
      "key": "ref20/cit20",
      "doi-asserted-by": "crossref",
      "first-page": "2708",
      "DOI": "10.1002/adma.200601080",
      "volume": "18",
      "author": "Zaumseil J.",
      "year": "2006",
      "journal-title": "Adv. Mater."
    },
    {
      "key": "ref21/cit21",
      "doi-asserted-by": "crossref",
      "first-page": "527",
      "DOI": "10.1016/j.polymer.2005.11.058",
      "volume": "47",
      "author": "Wu W. C.",
      "year": "2006",
      "journal-title": "Polymer"
    },
    {
      "key": "ref22/cit22",
      "doi-asserted-by": "crossref",
      "first-page": "1620",
      "DOI": "10.1021/jp809589n",
      "volume": "113",
      "author": "Kim H.",
      "year": "2009",
      "journal-title": "J. Phys. Chem. C"
    },
    {
      "key": "ref23/cit23",
      "doi-asserted-by": "crossref",
      "first-page": "161",
      "DOI": "10.1016/j.theochem.2007.04.014",
      "volume": "816",
      "author": "Yang L.",
      "year": "2007",
      "journal-title": "THEOCHEM"
    },
    {
      "key": "ref24/cit24",
      "doi-asserted-by": "crossref",
      "first-page": "6080",
      "DOI": "10.1021/ma0255130",
      "volume": "35",
      "author": "Huang J.",
      "year": "2002",
      "journal-title": "Macromolecules"
    },
    {
      "key": "ref25/cit25",
      "doi-asserted-by": "crossref",
      "first-page": "1376",
      "DOI": "10.1002/pola.22478",
      "volume": "46",
      "author": "Du J.",
      "year": "2008",
      "journal-title": "J. Polym. Sci., Part A: Polym. Chem."
    },
    {
      "key": "ref26/cit26",
      "doi-asserted-by": "crossref",
      "first-page": "4680",
      "DOI": "10.1021/ma010152u",
      "volume": "34",
      "author": "Morin J.-F.",
      "year": "2001",
      "journal-title": "Macromolecules"
    },
    {
      "key": "ref27/cit27",
      "doi-asserted-by": "crossref",
      "first-page": "2295",
      "DOI": "10.1002/adma.200602496",
      "volume": "19",
      "author": "Blouin N.",
      "year": "2007",
      "journal-title": "Adv. Mater."
    },
    {
      "key": "ref28/cit28",
      "doi-asserted-by": "crossref",
      "first-page": "732",
      "DOI": "10.1021/ja0771989",
      "volume": "130",
      "author": "Blouin N.",
      "year": "2008",
      "journal-title": "J. Am. Chem. Soc."
    },
    {
      "key": "ref29/cit29",
      "doi-asserted-by": "crossref",
      "first-page": "751",
      "DOI": "10.1021/cm8031175",
      "volume": "21",
      "author": "Aich R. B.",
      "year": "2009",
      "journal-title": "Chem. Mater."
    },
    {
      "key": "ref30/cit30",
      "doi-asserted-by": "crossref",
      "first-page": "1123",
      "DOI": "10.1039/b412143k",
      "volume": "15",
      "author": "Coppo P.",
      "year": "2005",
      "journal-title": "J. Mater. Chem."
    },
    {
      "key": "ref31/cit31",
      "doi-asserted-by": "crossref",
      "first-page": "3472",
      "DOI": "10.1021/ja0683537",
      "volume": "129",
      "author": "Zhang M.",
      "year": "2007",
      "journal-title": "J. Am. Chem. Soc."
    },
    {
      "key": "ref32/cit32",
      "doi-asserted-by": "crossref",
      "first-page": "1981",
      "DOI": "10.1021/ma062376o",
      "volume": "40",
      "author": "Zhu Z.",
      "year": "2007",
      "journal-title": "Macromolecules"
    },
    {
      "key": "ref33/cit33",
      "doi-asserted-by": "crossref",
      "first-page": "2307",
      "DOI": "10.1002/adma.200602437",
      "volume": "19",
      "author": "Hwang I. W.",
      "year": "2007",
      "journal-title": "Adv. Mater."
    },
    {
      "key": "ref34/cit34",
      "doi-asserted-by": "crossref",
      "first-page": "5498",
      "DOI": "10.1002/pola.23601",
      "volume": "47",
      "author": "Zhang S.",
      "year": "2009",
      "journal-title": "J. Polym. Sci., Part A: Polym. Chem."
    },
    {
      "key": "ref35/cit35",
      "doi-asserted-by": "crossref",
      "first-page": "338",
      "DOI": "10.1002/adfm.200901473",
      "volume": "20",
      "author": "Koppe M.",
      "year": "2010",
      "journal-title": "Adv. Funct. Mater."
    },
    {
      "key": "ref36/cit36",
      "doi-asserted-by": "crossref",
      "first-page": "2199",
      "DOI": "10.1039/b818885h",
      "volume": "19",
      "author": "Yue W.",
      "year": "2009",
      "journal-title": "J. Mater. Chem."
    },
    {
      "key": "ref37/cit37",
      "doi-asserted-by": "crossref",
      "first-page": "797",
      "DOI": "10.1021/ma902164q",
      "volume": "43",
      "author": "Price S. C.",
      "year": "2010",
      "journal-title": "Macromolecules"
    },
    {
      "key": "ref38/cit38",
      "doi-asserted-by": "crossref",
      "first-page": "997",
      "DOI": "10.1103/PhysRevLett.52.997",
      "volume": "52",
      "author": "Runge E.",
      "year": "1984",
      "journal-title": "Phys. Rev. Lett."
    },
    {
      "key": "ref39/cit39",
      "doi-asserted-by": "crossref",
      "first-page": "8218",
      "DOI": "10.1063/1.477483",
      "volume": "109",
      "author": "Stratmann R. E.",
      "year": "1998",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "ref40/cit40",
      "doi-asserted-by": "crossref",
      "first-page": "4439",
      "DOI": "10.1063/1.475855",
      "volume": "108",
      "author": "Casida M. E.",
      "year": "1998",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "ref41/cit41",
      "doi-asserted-by": "crossref",
      "first-page": "062206",
      "DOI": "10.1063/1.1904586",
      "volume": "123",
      "author": "Burke K.",
      "year": "2005",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "ref42/cit42",
      "volume-title": "Quantum Theory of Molecules and Solids: The Self-Consistent Field for Molecules and Solids",
      "volume": "4",
      "author": "Slater J. C.",
      "year": "1974"
    },
    {
      "key": "ref43/cit43",
      "doi-asserted-by": "crossref",
      "first-page": "3098",
      "DOI": "10.1103/PhysRevA.38.3098",
      "volume": "38",
      "author": "Becke A. D.",
      "year": "1988",
      "journal-title": "Phys. Rev. A"
    },
    {
      "key": "ref44/cit44",
      "doi-asserted-by": "crossref",
      "first-page": "1200",
      "DOI": "10.1139/p80-159",
      "volume": "58",
      "author": "Vosko S. H.",
      "year": "1980",
      "journal-title": "Can. J. Phys."
    },
    {
      "key": "ref45/cit45",
      "doi-asserted-by": "crossref",
      "first-page": "785",
      "DOI": "10.1103/PhysRevB.37.785",
      "volume": "37",
      "author": "Lee C.",
      "year": "1988",
      "journal-title": "Phys. Rev. B"
    },
    {
      "key": "ref46/cit46",
      "doi-asserted-by": "crossref",
      "first-page": "200",
      "DOI": "10.1016/0009-2614(89)87234-3",
      "volume": "157",
      "author": "Miehlich B.",
      "year": "1989",
      "journal-title": "Chem. Phys. Lett."
    },
    {
      "key": "ref47/cit47",
      "doi-asserted-by": "crossref",
      "first-page": "3865",
      "DOI": "10.1103/PhysRevLett.77.3865",
      "volume": "77",
      "author": "Perdew J. P.",
      "year": "1996",
      "journal-title": "Phys. Rev. Lett."
    },
    {
      "key": "ref48/cit48",
      "doi-asserted-by": "crossref",
      "first-page": "1396",
      "DOI": "10.1103/PhysRevLett.78.1396",
      "volume": "78",
      "author": "Perdew J. P.",
      "year": "1997",
      "journal-title": "Phys. Rev. Lett."
    },
    {
      "key": "ref49/cit49",
      "doi-asserted-by": "crossref",
      "first-page": "581",
      "DOI": "10.1016/j.solmat.2007.12.010",
      "volume": "92",
      "author": "Zhang L.",
      "year": "2008",
      "journal-title": "Sol. Energy Mater. Sol. Cells"
    },
    {
      "key": "ref50/cit50",
      "doi-asserted-by": "crossref",
      "first-page": "3618",
      "DOI": "10.1021/cm900788e",
      "volume": "21",
      "author": "Mondal R.",
      "year": "2009",
      "journal-title": "Chem. Mater."
    },
    {
      "key": "ref51/cit51",
      "doi-asserted-by": "crossref",
      "first-page": "9779",
      "DOI": "10.1021/ma102164c",
      "volume": "43",
      "author": "Biniek L.",
      "year": "2010",
      "journal-title": "Macromolecules"
    },
    {
      "key": "ref52/cit52",
      "doi-asserted-by": "crossref",
      "first-page": "371",
      "DOI": "10.1002/adma.200902469",
      "volume": "22",
      "author": "Chen H.-Y.",
      "year": "2010",
      "journal-title": "Adv. Mater."
    },
    {
      "key": "ref53/cit53",
      "doi-asserted-by": "crossref",
      "first-page": "2354",
      "DOI": "10.1021/ma1026498",
      "volume": "44",
      "author": "Pappenfus T. M.",
      "year": "2011",
      "journal-title": "Macromolecules"
    },
    {
      "key": "ref54/cit54",
      "doi-asserted-by": "crossref",
      "first-page": "4007",
      "DOI": "10.1021/ja039556n",
      "volume": "126",
      "author": "Dreuw A.",
      "year": "2004",
      "journal-title": "J. Am. Chem. Soc."
    },
    {
      "key": "ref55/cit55",
      "doi-asserted-by": "crossref",
      "first-page": "5543",
      "DOI": "10.1063/1.1501131",
      "volume": "117",
      "author": "Cai Z.-L.",
      "year": "2002",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "ref56/cit56",
      "doi-asserted-by": "crossref",
      "first-page": "1210",
      "DOI": "10.1107/S0108270184007368",
      "volume": "40",
      "author": "Belsky V. K.",
      "year": "1984",
      "journal-title": "Acta Crystallogr., Sect. C"
    },
    {
      "key": "ref57/cit57",
      "doi-asserted-by": "crossref",
      "first-page": "162",
      "DOI": "10.1107/S0567740869001920",
      "volume": "25",
      "author": "Clarke P. T.",
      "year": "1969",
      "journal-title": "Acta Crystallogr., Sect. B"
    },
    {
      "key": "ref58/cit58",
      "doi-asserted-by": "crossref",
      "first-page": "1665",
      "DOI": "10.1021/cm0009118",
      "volume": "13",
      "author": "Benincori T.",
      "year": "2001",
      "journal-title": "Chem. Mater."
    },
    {
      "key": "ref59/cit59",
      "doi-asserted-by": "crossref",
      "first-page": "2921",
      "DOI": "10.1021/jo034078k",
      "volume": "68",
      "author": "Ogawa K.",
      "year": "2003",
      "journal-title": "J. Org. Chem."
    },
    {
      "key": "ref60/cit60",
      "doi-asserted-by": "crossref",
      "first-page": "2548",
      "DOI": "10.1039/b306171j",
      "volume": "9",
      "author": "Coppo P.",
      "year": "2003",
      "journal-title": "Chem. Commun."
    },
    {
      "key": "ref61/cit61",
      "doi-asserted-by": "crossref",
      "first-page": "487",
      "DOI": "10.1016/S0022-328X(97)00643-8",
      "volume": "553",
      "author": "Ohshita J.",
      "year": "1998",
      "journal-title": "J. Organomet. Chem."
    },
    {
      "key": "ref62/cit62",
      "doi-asserted-by": "crossref",
      "first-page": "7487",
      "DOI": "10.1002/chem.200700399",
      "volume": "13",
      "author": "Dienes Y.",
      "year": "2007",
      "journal-title": "Chem.\u2013Eur. J."
    },
    {
      "key": "ref63/cit63",
      "doi-asserted-by": "crossref",
      "first-page": "8954",
      "DOI": "10.1021/jo010808h",
      "volume": "66",
      "author": "Suzuki T.",
      "year": "2001",
      "journal-title": "J. Org. Chem."
    },
    {
      "volume-title": "Jaguar",
      "year": "2005",
      "key": "ref64/cit64"
    },
    {
      "key": "ref65/cit65",
      "doi-asserted-by": "crossref",
      "first-page": "4028",
      "DOI": "10.1063/1.467520",
      "volume": "101",
      "author": "Greeley B. H.",
      "year": "1994",
      "journal-title": "J. Chem. Phys."
    },
    {
      "volume-title": "Gaussian 03",
      "year": "2004",
      "author": "Frisch M. J.",
      "key": "ref66/cit66"
    },
    {
      "key": "ref67/cit67",
      "doi-asserted-by": "crossref",
      "first-page": "1995",
      "DOI": "10.1021/jp9716997",
      "volume": "102",
      "author": "Barone V.",
      "year": "1998",
      "journal-title": "J. Phys. Chem. A"
    },
    {
      "key": "ref68/cit68",
      "doi-asserted-by": "crossref",
      "first-page": "669",
      "DOI": "10.1002/jcc.10189",
      "volume": "24",
      "author": "Cossi M.",
      "year": "2003",
      "journal-title": "J. Comput. Chem."
    },
    {
      "key": "ref69/cit69",
      "doi-asserted-by": "crossref",
      "first-page": "356",
      "DOI": "10.1117/12.416916",
      "volume": "4105",
      "author": "Hong Y.",
      "year": "2001",
      "journal-title": "Proc. SPIE"
    },
    {
      "key": "ref70/cit70",
      "doi-asserted-by": "crossref",
      "first-page": "657",
      "DOI": "10.1038/nchem.403",
      "volume": "1",
      "author": "Coffin R. C.",
      "year": "2009",
      "journal-title": "Nature Chem."
    },
    {
      "key": "ref71/cit71",
      "doi-asserted-by": "crossref",
      "first-page": "11",
      "DOI": "10.1016/j.orgel.2005.01.002",
      "volume": "6",
      "author": "D\u2019Andrade B. W.",
      "year": "2005",
      "journal-title": "Org. Electron."
    },
    {
      "key": "ref72/cit72",
      "doi-asserted-by": "crossref",
      "first-page": "1691",
      "DOI": "10.1103/PhysRevLett.49.1691",
      "volume": "49",
      "author": "Perdew J. P.",
      "year": "1982",
      "journal-title": "Phys. Rev. Lett."
    },
    {
      "key": "ref73/cit73",
      "doi-asserted-by": "crossref",
      "first-page": "16021",
      "DOI": "10.1103/PhysRevB.56.16021",
      "volume": "56",
      "author": "Perdew J. P.",
      "year": "1997",
      "journal-title": "Phys. Rev. B"
    },
    {
      "key": "ref74/cit74",
      "doi-asserted-by": "crossref",
      "first-page": "3231",
      "DOI": "10.1103/PhysRevB.31.3231",
      "volume": "31",
      "author": "Almbladh C.-O.",
      "year": "1985",
      "journal-title": "Phys. Rev. B"
    },
    {
      "key": "ref75/cit75",
      "doi-asserted-by": "crossref",
      "first-page": "3414",
      "DOI": "10.1021/ja9826892",
      "volume": "121",
      "author": "Stowasser R.",
      "year": "1999",
      "journal-title": "J. Am. Chem. Soc."
    },
    {
      "key": "ref76/cit76",
      "doi-asserted-by": "crossref",
      "first-page": "1760",
      "DOI": "10.1063/1.1430255",
      "volume": "116",
      "author": "Chong D. P.",
      "year": "2002",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "ref77/cit77",
      "doi-asserted-by": "crossref",
      "first-page": "1554",
      "DOI": "10.1021/jp061633o",
      "volume": "111",
      "author": "Zhang G.",
      "year": "2007",
      "journal-title": "J. Phys. Chem. A"
    },
    {
      "key": "ref78/cit78",
      "doi-asserted-by": "crossref",
      "first-page": "12636",
      "DOI": "10.1021/ja0385437",
      "volume": "126",
      "author": "Jang Y. H.",
      "year": "2004",
      "journal-title": "J. Am. Chem. Soc."
    },
    {
      "key": "ref79/cit79",
      "doi-asserted-by": "crossref",
      "first-page": "8715",
      "DOI": "10.1021/jp800201z",
      "volume": "112",
      "author": "Jang Y. H.",
      "year": "2008",
      "journal-title": "J. Phys. Chem. C"
    },
    {
      "key": "ref80/cit80",
      "doi-asserted-by": "crossref",
      "first-page": "433",
      "DOI": "10.1080/00268970110078335",
      "volume": "100",
      "author": "Allen M. J.",
      "year": "2002",
      "journal-title": "Mol. Phys."
    },
    {
      "key": "ref81/cit81",
      "doi-asserted-by": "crossref",
      "first-page": "12697",
      "DOI": "10.1063/1.1633756",
      "volume": "119",
      "author": "Tozer D. J.",
      "year": "2003",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "ref82/cit82",
      "doi-asserted-by": "crossref",
      "first-page": "254",
      "DOI": "10.1016/j.theochem.2007.11.023",
      "volume": "851",
      "author": "Bouzzine S. M.",
      "year": "2008",
      "journal-title": "THEOCHEM"
    },
    {
      "key": "ref83/cit83",
      "doi-asserted-by": "crossref",
      "first-page": "7419",
      "DOI": "10.1021/jo990725p",
      "volume": "64",
      "author": "Salzner U.",
      "year": "1999",
      "journal-title": "J. Org. Chem."
    },
    {
      "key": "ref84/cit84",
      "doi-asserted-by": "crossref",
      "first-page": "16144",
      "DOI": "10.1021/ja806687u",
      "volume": "130",
      "author": "Hou J.",
      "year": "2008",
      "journal-title": "J. Am. Chem. Soc."
    },
    {
      "key": "ref85/cit85",
      "doi-asserted-by": "crossref",
      "first-page": "367",
      "DOI": "10.1002/adma.200900529",
      "volume": "22",
      "author": "Scharber M. C.",
      "year": "2010",
      "journal-title": "Adv. Mater."
    },
    {
      "key": "ref86/cit86",
      "doi-asserted-by": "crossref",
      "first-page": "7514",
      "DOI": "10.1021/ja900519k",
      "volume": "131",
      "author": "Beaujuge P. M.",
      "year": "2009",
      "journal-title": "J. Am. Chem. Soc."
    },
    {
      "key": "ref87/cit87",
      "doi-asserted-by": "crossref",
      "first-page": "3959",
      "DOI": "10.1002/adfm.201001271",
      "volume": "20",
      "author": "Tong M.",
      "year": "2010",
      "journal-title": "Adv. Funct. Mater."
    },
    {
      "key": "ref88/cit88",
      "doi-asserted-by": "crossref",
      "first-page": "8870",
      "DOI": "10.1021/ma0618530",
      "volume": "39",
      "author": "Bunnagel T. W.",
      "year": "2006",
      "journal-title": "Macromolecules"
    }
  ],
  "container-title": "The Journal of Physical Chemistry C",
  "original-title": [],
  "language": "en",
  "link": [
    {
      "URL": "https://pubs.acs.org/doi/pdf/10.1021/jp2062207",
      "content-type": "unspecified",
      "content-version": "vor",
      "intended-application": "similarity-checking"
    }
  ],
  "deposited": {
    "date-parts": [
      [
        2023,
        4,
        22
      ]
    ],
    "date-time": "2023-04-22T10:41:47Z",
    "timestamp": 1682160107000
  },
  "score": 1,
  "resource": {
    "primary": {
      "URL": "https://pubs.acs.org/doi/10.1021/jp2062207"
    }
  },
  "subtitle": [],
  "short-title": [],
  "issued": {
    "date-parts": [
      [
        2011,
        10,
        7
      ]
    ]
  },
  "references-count": 88,
  "journal-issue": {
    "issue": "43",
    "published-print": {
      "date-parts": [
        [
          2011,
          11,
          3
        ]
      ]
    }
  },
  "alternative-id": [
    "10.1021/jp2062207"
  ],
  "URL": "http://dx.doi.org/10.1021/jp2062207",
  "relation": {},
  "ISSN": [
    "1932-7447",
    "1932-7455"
  ],
  "subject": [],
  "container-title-short": "J. Phys. Chem. C",
  "published": {
    "date-parts": [
      [
        2011,
        10,
        7
      ]
    ]
  }
}