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Volumn 56, Issue 9, 2013, Pages 1277-1284

From electronic excited state theory to the property predictions of organic optoelectronic materials

Author keywords

charge mobility; electron dynamics methods; exciton diffusion; light emitting efficiency; statistical physics approaches

Indexed keywords

CHARGE MOBILITIES; ELECTRON DYNAMICS; EXCITON DIFFUSION; LIGHT-EMITTING EFFICIENCY; STATISTICAL PHYSICS;

EID: 84883369016     PISSN: 16747291     EISSN: None     Source Type: Journal    
DOI: 10.1007/s11426-013-4916-7     Document Type: Article
Times cited : (16)

References (43)
  • 1
    • 84875619133 scopus 로고    scopus 로고
    • Materials Genome Initiative for Global Competitiveness. Executive Office of the President of the United States Washington DC
    • Materials Genome Initiative for Global Competitiveness. National Science and Technology Council. Washington DC: Executive Office of the President of the United States, 2011
    • (2011) National Science and Technology Council
  • 4
    • 79954612131 scopus 로고    scopus 로고
    • Outlook brightens for plastic solar cells
    • 10.1126/science.332.6027.293 1:CAS:528:DC%2BC3MXlslOrt70%3D
    • Service RF. Outlook brightens for plastic solar cells. Science, 2011, 332: 293
    • (2011) Science , vol.332 , pp. 293
    • Service, R.F.1
  • 5
    • 66149083087 scopus 로고    scopus 로고
    • White organic light-emitting diodes with fluorescent tube efficiency
    • 10.1038/nature08003 1:CAS:528:DC%2BD1MXlvFSiu70%3D
    • Reineke S, Lindner F, Schwartz G, Seidler N, Walzer K, Lüssem B, Leo K. White organic light-emitting diodes with fluorescent tube efficiency. Nature, 2009, 459: 234-238
    • (2009) Nature , vol.459 , pp. 234-238
    • Reineke, S.1    Lindner, F.2    Schwartz, G.3    Seidler, N.4    Walzer, K.5    Lüssem, B.6    Leo, K.7
  • 6
    • 12344293022 scopus 로고
    • Studies of polaron motion: Part II. The "small" polaron
    • 10.1016/0003-4916(59)90003-X 1:CAS:528:DyaF3cXpsFejtg%3D%3D
    • Holstein T. Studies of polaron motion: Part II. The "small" polaron. Ann Phys, 1959, 8: 343-389
    • (1959) Ann Phys , vol.8 , pp. 343-389
    • Holstein, T.1
  • 7
    • 0000138156 scopus 로고
    • Band-hopping mobility transition in naphthalene and deuterated naphthalene
    • 10.1103/PhysRevB.20.1631 1:CAS:528:DyaE1MXmtVaktbc%3D
    • Schein LB, McGhie AR. Band-hopping mobility transition in naphthalene and deuterated naphthalene. Phys Rev B, 1979, 20: 1631-1639
    • (1979) Phys Rev B , vol.20 , pp. 1631-1639
    • Schein, L.B.1    McGhie, A.R.2
  • 8
    • 0039502772 scopus 로고
    • Theory of electronic transport in molecular crystals. III. Diffusion coefficient incorporating nonlocal linear electron-phonon coupling
    • 10.1063/1.449373 1:CAS:528:DyaL2MXlt12htrw%3D
    • Munn RW, Silbey R. Theory of electronic transport in molecular crystals. III. Diffusion coefficient incorporating nonlocal linear electron-phonon coupling. J Chem Phys, 1985, 83: 1854-1864
    • (1985) J Chem Phys , vol.83 , pp. 1854-1864
    • Munn, R.W.1    Silbey, R.2
  • 9
    • 26744435368 scopus 로고
    • Solitons in polyacetylene
    • 10.1103/PhysRevLett.42.1698 1:CAS:528:DyaE1MXkvVajuro%3D
    • Su WP, Schrieffer JR, Heeger AJ. Solitons in polyacetylene. Phys Rev Lett, 1979, 42: 1698-1701
    • (1979) Phys Rev Lett , vol.42 , pp. 1698-1701
    • Su, W.P.1    Schrieffer, J.R.2    Heeger, A.J.3
  • 10
    • 0002358478 scopus 로고
    • Excitons, polarons, and bipolarons in conducting polymers
    • 1:CAS:528:DyaL3MXhsVyrsL4%3D
    • Brazovskii SA, Kirova NN. Excitons, polarons, and bipolarons in conducting polymers. JETP Lett, 1981, 33: 6-10
    • (1981) JETP Lett , vol.33 , pp. 6-10
    • Brazovskii, S.A.1    Kirova, N.N.2
  • 11
    • 84987058072 scopus 로고
    • Charge transport in disordered organic photoconductors a Monte Carlo simulation study
    • 10.1002/pssb.2221750102 1:CAS:528:DyaK3sXhtlKqtLw%3D
    • Baessler H. Charge transport in disordered organic photoconductors a Monte Carlo simulation study. Phys Status Solidi B, 1993, 175: 15-56
    • (1993) Phys Status Solidi B , vol.175 , pp. 15-56
    • Baessler, H.1
  • 12
    • 10244229148 scopus 로고    scopus 로고
    • Chare-transfer and energy-transfer processes in π-conjugated oligpmers and polymers: A molecular picture
    • 10.1021/cr040084k
    • Brédas JL, Beljonne D, Coropceanu V, Cornil J. Chare-transfer and energy-transfer processes in π-conjugated oligpmers and polymers: A molecular picture. Chem Rev, 2004, 104: 4971-5003
    • (2004) Chem Rev , vol.104 , pp. 4971-5003
    • Brédas, J.L.1    Beljonne, D.2    Coropceanu, V.3    Cornil, J.4
  • 13
    • 28844434139 scopus 로고    scopus 로고
    • Intermolecular charge transfer between heterocyclic oligomers. Effects of heteroatom and molecular packing on hopping transport in organic semiconductors
    • 10.1021/ja0533996 1:CAS:528:DC%2BD2MXhtF2ku7vN
    • Hutchison HR, Ratner MA, Marks TJ. Intermolecular charge transfer between heterocyclic oligomers. Effects of heteroatom and molecular packing on hopping transport in organic semiconductors. J Am Chem Soc, 2005, 127: 16866-16881
    • (2005) J Am Chem Soc , vol.127 , pp. 16866-16881
    • Hutchison, H.R.1    Ratner, M.A.2    Marks, T.J.3
  • 14
    • 3142766116 scopus 로고    scopus 로고
    • Predictions of hole mobilities in oligoacene organic semiconductors from quantum mechanical calculations
    • 10.1021/jp0495848 1:CAS:528:DC%2BD2cXksVGrtbg%3D
    • Deng WQ, Goddard IIIWA. Predictions of hole mobilities in oligoacene organic semiconductors from quantum mechanical calculations. J Phys Chem B, 2004, 108: 8614-8621
    • (2004) J Phys Chem B , vol.108 , pp. 8614-8621
    • Deng, W.Q.1    Goddard, I.2
  • 16
    • 84859935453 scopus 로고    scopus 로고
    • Theoretical study on charge transport properties of cyanovinyl- substituted oligothiophenes
    • 10.1016/j.orgel.2012.03.026 1:CAS:528:DC%2BC38XntFSku7w%3D
    • Duan YA, Geng Y, Li HB, Tang XD, Jin JJ, Su ZM. Theoretical study on charge transport properties of cyanovinyl-substituted oligothiophenes. Org Electronics, 2012, 13: 1213-1222
    • (2012) Org Electronics , vol.13 , pp. 1213-1222
    • Duan, Y.A.1    Geng, Y.2    Li, H.B.3    Tang, X.D.4    Jin, J.J.5    Su, Z.M.6
  • 17
    • 84860378167 scopus 로고    scopus 로고
    • Design of donors with broad absorption regions and suitable frontier molecular orbitals to match typical acceptors via substitution on oligo(thienylenevinylene) toward solar cells
    • 10.1002/jcc.22966 1:CAS:528:DC%2BC38XltVaqsLc%3D
    • Tang SS, Zhang JP. Design of donors with broad absorption regions and suitable frontier molecular orbitals to match typical acceptors via substitution on oligo(thienylenevinylene) toward solar cells. J Comput Chem, 2012, 33: 1353-1363
    • (2012) J Comput Chem , vol.33 , pp. 1353-1363
    • Tang, S.S.1    Zhang, J.P.2
  • 18
    • 80054939048 scopus 로고    scopus 로고
    • Structural and thermal effects on the charge transport of core-twisted chlorinated perylene bisimide semiconductors
    • 10.1021/jp207333y
    • Di Motta S, Siracusa M, Negrio F. Structural and thermal effects on the charge transport of core-twisted chlorinated perylene bisimide semiconductors. J Phys Chem C, 2011, 115: 20754-20764
    • (2011) J Phys Chem C , vol.115 , pp. 20754-20764
    • Di Motta, S.1    Siracusa, M.2    Negrio, F.3
  • 19
    • 78650115101 scopus 로고    scopus 로고
    • Ambipolar charge transport in α-oligofurans: A theoretical study
    • 10.1021/jp1047503 1:CAS:528:DC%2BC3cXhtV2ktbvM
    • Mohakud S, Alex A, Pati S K. Ambipolar charge transport in α-oligofurans: A theoretical study. J Phys Chem C, 2010, 114: 20436-20442
    • (2010) J Phys Chem C , vol.114 , pp. 20436-20442
    • Mohakud, S.1    Alex, A.2    Pati, S.K.3
  • 20
    • 47149086001 scopus 로고    scopus 로고
    • Heteroatom substitution of oligothienoacenes: From good p-type semiconductors to good ambipolar semiconductors for organic field-effect transistors
    • 10.1021/jp710123r 1:CAS:528:DC%2BD1cXivV2gsr0%3D
    • Zhang Y, Cai X, Bian YZ, Li XY, Jiang JZ. Heteroatom substitution of oligothienoacenes: From good p-type semiconductors to good ambipolar semiconductors for organic field-effect transistors. J Phys Chem C, 2008, 112: 5148-5159
    • (2008) J Phys Chem C , vol.112 , pp. 5148-5159
    • Zhang, Y.1    Cai, X.2    Bian, Y.Z.3    Li, X.Y.4    Jiang, J.Z.5
  • 21
    • 34250333073 scopus 로고    scopus 로고
    • Cyanation: Providing a three-in-one advantage for the design of n-type organic field-effect transistors
    • 10.1002/chem.200601803 1:CAS:528:DC%2BD2sXms1SisL8%3D
    • Kuo MY, Chen HY, Chao I. Cyanation: Providing a three-in-one advantage for the design of n-type organic field-effect transistors. Chem Euro J, 2007, 13: 4750-4758
    • (2007) Chem Euro J , vol.13 , pp. 4750-4758
    • Kuo, M.Y.1    Chen, H.Y.2    Chao, I.3
  • 23
    • 44349176116 scopus 로고    scopus 로고
    • Influences of crystal structures and molecular sizes on the charge mobility of organic semiconductors: Oligothiophenes
    • 10.1021/cm8002172 1:CAS:528:DC%2BD1cXks1WnsL8%3D
    • Yang XD, Wang LJ, Wang CL, Long W, Shuai Z. Influences of crystal structures and molecular sizes on the charge mobility of organic semiconductors: Oligothiophenes. Chem Mater, 2008, 20: 3205-3211
    • (2008) Chem Mater , vol.20 , pp. 3205-3211
    • Yang, X.D.1    Wang, L.J.2    Wang, C.L.3    Long, W.4    Shuai, Z.5
  • 24
    • 63149153394 scopus 로고    scopus 로고
    • Nuclear tunneling effects of charge transport in rubrene, tetracene, and pentacene
    • 10.1103/PhysRevB.79.115203
    • Nan GJ, Yang XD, Wang LJ, Shuai Z, Zhao Y. Nuclear tunneling effects of charge transport in rubrene, tetracene, and pentacene. Phys Rev B, 2009, 79: 115203
    • (2009) Phys Rev B , vol.79 , pp. 115203
    • Nan, G.J.1    Yang, X.D.2    Wang, L.J.3    Shuai, Z.4    Zhao, Y.5
  • 25
  • 26
    • 34547249957 scopus 로고    scopus 로고
    • Light quasiparticles dominate electronic transport in molecular crystal field-effect transistors
    • 10.1103/PhysRevLett.99.016403 1:STN:280:DC%2BD2svmtFaqsg%3D%3D
    • Li ZQ, Podzorov V, Sai N, Martin MC, Gershenson ME, Di Ventra M, Basov DN. Light quasiparticles dominate electronic transport in molecular crystal field-effect transistors. Phys Rev Lett, 2007, 99: 016403
    • (2007) Phys Rev Lett , vol.99 , pp. 016403
    • Li, Z.Q.1    Podzorov, V.2    Sai, N.3    Martin, M.C.4    Gershenson, M.E.5    Di Ventra, M.6    Basov, D.N.7
  • 27
    • 72849136914 scopus 로고    scopus 로고
    • Bandlike motion and mobility saturation in organic molecular semiconductors
    • 10.1103/PhysRevLett.103.266601 1:STN:280:DC%2BC3c3jslKrsQ%3D%3D
    • Fratini S, Ciuchi S. Bandlike motion and mobility saturation in organic molecular semiconductors. Phys Rev Lett, 2009, 103: 266601
    • (2009) Phys Rev Lett , vol.103 , pp. 266601
    • Fratini, S.1    Ciuchi, S.2
  • 28
    • 34547608406 scopus 로고    scopus 로고
    • Roles of inter- and intramolecular vibrations and band-hopping crossover in the charge transport in naphthalene crystal
    • 10.1063/1.2751191 1:STN:280:DC%2BD2srhtVWnug%3D%3D
    • Wang LJ, Peng Q, Li QK, Shuai Z. Roles of inter- and intramolecular vibrations and band-hopping crossover in the charge transport in naphthalene crystal. J Chem Phys, 2007, 127: 044506
    • (2007) J Chem Phys , vol.127 , pp. 044506
    • Wang, L.J.1    Peng, Q.2    Li, Q.K.3    Shuai, Z.4
  • 29
    • 79956291546 scopus 로고    scopus 로고
    • Chlorinated indium tin oxide electrodes with high work function for organic device compatibility
    • 10.1126/science.1202992 1:CAS:528:DC%2BC3MXmtFSgt70%3D
    • Helander MG, Wang ZB, Qiu J, Greiner MT, Puzzo DP, Liu ZW, Lu ZH. Chlorinated indium tin oxide electrodes with high work function for organic device compatibility. Science, 2011, 332: 944-947
    • (2011) Science , vol.332 , pp. 944-947
    • Helander, M.G.1    Wang, Z.B.2    Qiu, J.3    Greiner, M.T.4    Puzzo, D.P.5    Liu, Z.W.6    Lu, Z.H.7
  • 30
    • 0028368820 scopus 로고
    • White light-mitting organic electroluminescent devices using the poly(N-vinylcarbazole) emitter layer doped with three fluorescent dyes
    • 10.1063/1.111023 1:CAS:528:DyaK2cXitlWhtLs%3D
    • Kido J, Hongawa K, Okuyama K, Nagai K. White light-mitting organic electroluminescent devices using the poly(N-vinylcarbazole) emitter layer doped with three fluorescent dyes. Appl Phys Lett, 1994, 64: 815-817
    • (1994) Appl Phys Lett , vol.64 , pp. 815-817
    • Kido, J.1    Hongawa, K.2    Okuyama, K.3    Nagai, K.4
  • 31
    • 0032505122 scopus 로고    scopus 로고
    • Highly efficient phosphorescent emission from organic electroluminescent devices
    • 10.1038/25954 1:CAS:528:DyaK1cXmtVektbc%3D
    • Baldo MA, O'Brien DF, You Y, Shoustikov A, Sibley S, Thompson ME, Forrest SR. Highly efficient phosphorescent emission from organic electroluminescent devices. Nature, 1998, 395: 151-154
    • (1998) Nature , vol.395 , pp. 151-154
    • Baldo, M.A.1    O'Brien, D.F.2    You, Y.3    Shoustikov, A.4    Sibley, S.5    Thompson, M.E.6    Forrest, S.R.7
  • 32
    • 2342486652 scopus 로고    scopus 로고
    • The path to ubiquitous and low-cost organic electronic appliances on plastic
    • 10.1038/nature02498 1:CAS:528:DC%2BD2cXjsV2mtr4%3D
    • Forrest SR. The path to ubiquitous and low-cost organic electronic appliances on plastic. Nature, 2004, 428: 911-918
    • (2004) Nature , vol.428 , pp. 911-918
    • Forrest, S.R.1
  • 33
    • 77955109372 scopus 로고    scopus 로고
    • Theory of excited state decays and optical spectra: Application to polyatomic molecules
    • 10.1021/jp101568f 1:CAS:528:DC%2BC3cXovFehurw%3D
    • Niu YL, Peng Q, Deng CM, Gao X, Shuai Z. Theory of excited state decays and optical spectra: Application to polyatomic molecules. J Phys Chem A, 2010, 114: 7817-7831
    • (2010) J Phys Chem A , vol.114 , pp. 7817-7831
    • Niu, Y.L.1    Peng, Q.2    Deng, C.M.3    Gao, X.4    Shuai, Z.5
  • 34
    • 84859575416 scopus 로고    scopus 로고
    • Theoretical design of polythienylenevinylene derivatives for improvements of light-emitting and photovoltaic performances
    • 10.1039/c1jm14956c 1:CAS:528:DC%2BC38Xit1ShtL8%3D
    • Jiang YQ, Peng Q, Gao X, Shuai Z, Niu YL, Lin SH. Theoretical design of polythienylenevinylene derivatives for improvements of light-emitting and photovoltaic performances. J Mater Chem, 2012, 22: 4491-4501
    • (2012) J Mater Chem , vol.22 , pp. 4491-4501
    • Jiang, Y.Q.1    Peng, Q.2    Gao, X.3    Shuai, Z.4    Niu, Y.L.5    Lin, S.H.6
  • 35
    • 84873642025 scopus 로고    scopus 로고
    • Correlation function formalism for triplet excited state decay: Combined spin-orbit and non-adiabatic couplings
    • 10.1021/ct300798t 1:CAS:528:DC%2BC38XhslOlsb7E
    • Peng Q, Niu YL, Shi QH, Gao X, Shuai Z. Correlation function formalism for triplet excited state decay: Combined spin-orbit and non-adiabatic couplings. J Chem Theory Comput, 2013, 9: 1132-1143
    • (2013) J Chem Theory Comput , vol.9 , pp. 1132-1143
    • Peng, Q.1    Niu, Y.L.2    Shi, Q.H.3    Gao, X.4    Shuai, Z.5
  • 36
    • 84863646258 scopus 로고    scopus 로고
    • Towards quantitative prediction of charge mobility in organic semiconductors: Tunneling enabled hopping model
    • 10.1002/adma.201104454 1:CAS:528:DC%2BC38XosVartb4%3D
    • Geng H, Peng Q, Wang LJ, Li HJ, Liao Y, Ma ZY, Shuai ZG. Towards quantitative prediction of charge mobility in organic semiconductors: Tunneling enabled hopping model. Adv Mater, 2012, 24: 3568-3572
    • (2012) Adv Mater , vol.24 , pp. 3568-3572
    • Geng, H.1    Peng, Q.2    Wang, L.J.3    Li, H.J.4    Liao, Y.5    Ma, Z.Y.6    Shuai, Z.G.7
  • 37
    • 84863962119 scopus 로고    scopus 로고
    • First-principles prediction of charge mobility in carbon and organic nanomaterials
    • 10.1039/c2nr30585b 1:CAS:528:DC%2BC38XhtVSqt7zE
    • Xi JY, Long MQ, Tang L, Wang D, Shuai ZG. First-principles prediction of charge mobility in carbon and organic nanomaterials. Nanoscale, 2012, 4: 4348-4369
    • (2012) Nanoscale , vol.4 , pp. 4348-4369
    • Xi, J.Y.1    Long, M.Q.2    Tang, L.3    Wang, D.4    Shuai, Z.G.5
  • 39
    • 0039688371 scopus 로고    scopus 로고
    • Singlet and triplet exciton formation rates in conjugated polymer light-emitting diodes
    • 10.1103/PhysRevLett.84.131 1:CAS:528:DC%2BD3cXisFSlsQ%3D%3D
    • Shuai Z, Beljonne D, Silbey RJ, Bredas JL. Singlet and triplet exciton formation rates in conjugated polymer light-emitting diodes. Phys Rev Lett, 2000, 84: 131-134
    • (2000) Phys Rev Lett , vol.84 , pp. 131-134
    • Shuai, Z.1    Beljonne, D.2    Silbey, R.J.3    Bredas, J.L.4
  • 40
    • 84863987375 scopus 로고    scopus 로고
    • Quantum chemical insights into the aggregation induced emission: A QM/MM study for pyrazine derivatives
    • 10.1002/jcc.23019 1:CAS:528:DC%2BC38XnsVGlsrk%3D
    • Wu QY, Deng CM, Peng Q, Niu YL, Shuai ZG. Quantum chemical insights into the aggregation induced emission: A QM/MM study for pyrazine derivatives. J Comput Chem, 2012, 33: 1862-1869
    • (2012) J Comput Chem , vol.33 , pp. 1862-1869
    • Wu, Q.Y.1    Deng, C.M.2    Peng, Q.3    Niu, Y.L.4    Shuai, Z.G.5
  • 41
    • 74049097578 scopus 로고    scopus 로고
    • Theoretical chemistry and its application to sustainable development
    • 1:CAS:528:DC%2BD1MXhsF2itLvP
    • Shuai ZG. Theoretical chemistry and its application to sustainable development. Prog in Chem, 2009, 21: 2259-2270
    • (2009) Prog in Chem , vol.21 , pp. 2259-2270
    • Shuai, Z.G.1
  • 42
    • 84872547635 scopus 로고    scopus 로고
    • Fullerene/Sulfur-bridged annulene cocrystals: Two-dimensional segregated heterojunctions with ambipolar transport properties and photoresponsivity
    • 10.1021/ja310098k 1:CAS:528:DC%2BC38XhvFWiur3L
    • Zhang J, Tan JH, Ma ZY, Xu W, Zhao GY, Geng H, Di CA, Hu WP, Shuai ZG, Singh K, Zhu DB. Fullerene/Sulfur-bridged annulene cocrystals: Two-dimensional segregated heterojunctions with ambipolar transport properties and photoresponsivity. J Am Chem Soc, 2013, 135(2): 558-561
    • (2013) J Am Chem Soc , vol.135 , Issue.2 , pp. 558-561
    • Zhang, J.1    Tan, J.H.2    Ma, Z.Y.3    Xu, W.4    Zhao, G.Y.5    Geng, H.6    Di, C.A.7    Hu, W.P.8    Shuai, Z.G.9    Singh, K.10    Zhu, D.B.11
  • 43
    • 84861078827 scopus 로고    scopus 로고
    • Sulfur-bridged annulene-TCNQ cocrystal: A self-assembled molecular level heterojunction with airstable ambipolar charge transport behaviors
    • 10.1002/adma.201200578 1:CAS:528:DC%2BC38XlsFWhs7w%3D
    • Zhang J, Geng H, Virk TS, Zhao GY, Tan JH, Di CA, Xu W, Singh K, Hu WP, Shuai ZG, Liu YQ, Zhu DB. Sulfur-bridged annulene-TCNQ cocrystal: A self-assembled molecular level heterojunction with airstable ambipolar charge transport behaviors. Adv Mater, 2012, 24(19): 2603-2607
    • (2012) Adv Mater , vol.24 , Issue.19 , pp. 2603-2607
    • Zhang, J.1    Geng, H.2    Virk, T.S.3    Zhao, G.Y.4    Tan, J.H.5    Di, C.A.6    Xu, W.7    Singh, K.8    Hu, W.P.9    Shuai, Z.G.10    Liu, Y.Q.11    Zhu, D.B.12


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