Modelling charge transport in organic semiconductors: from quantum dynamics to soft matter.
暂无分享,去创建一个
[1] M. Koeberg,et al. On the mechanism of charge transport in pentacene. , 2008, The Journal of chemical physics.
[2] J. Nelson,et al. Simulating charge transport in tris(8-hydroxyquinoline) aluminium (Alq(3)). , 2008, Physical chemistry chemical physics : PCCP.
[3] R. Silbey,et al. A unified theory for charge-carrier transport in organic crystals. , 2008, The Journal of chemical physics.
[4] K. Pernstich,et al. Field-effect-modulated Seebeck coefficient in organic semiconductors. , 2008, Nature materials.
[5] C. Zannoni,et al. "Reduced" distributed monopole model for the efficient prediction of energy transfer in condensed phases. , 2008, The journal of physical chemistry. B.
[6] Ferdinand C. Grozema,et al. Mechanism of charge transport in self-organizing organic materials , 2008 .
[7] C. Rothe. Electrical doping is paving the way for the implementation of OLEDs in consumer electronics , 2007 .
[8] Wojciech Pisula,et al. Discotic liquid crystals: a new generation of organic semiconductors. , 2007, Chemical Society reviews.
[9] F. Lelj,et al. Atomistic simulation of discotic liquid crystals: transition from isotropic to columnar phase example. , 2007, The Journal of chemical physics.
[10] A. Troisi,et al. Prediction of the Absolute Charge Mobility of Molecular Semiconductors: the Case of Rubrene , 2007 .
[11] David Curcó,et al. Computational tool to model the packing of polycyclic chains: Structural analysis of amorphous polythiophene , 2007, J. Comput. Chem..
[12] Z. Shuai,et al. Roles of inter- and intramolecular vibrations and band-hopping crossover in the charge transport in naphthalene crystal. , 2007, The Journal of chemical physics.
[13] B. Batlogg,et al. Large uniaxial negative thermal expansion in pentacene due to steric hindrance , 2007, 0707.0450.
[14] F. Bechstedt,et al. Ab initio studies of structural, vibrational, and electronic properties of durene crystals and molecules , 2007 .
[15] J. Nelson,et al. Predictive study of charge transport in disordered semiconducting polymers. , 2007, Nano letters.
[16] J. Gierschner,et al. Liquid crystalline octaalkoxycarbonyl phthalocyanines: design, synthesis, electronic structure, self-aggregation and mesomorphism , 2007 .
[17] C. Zannoni,et al. Molecular properties and stacking of 1-substituted hexaalkoxy triphenylenes , 2007 .
[18] M. Bendikov,et al. Twisting of conjugated oligomers and polymers: case study of oligo- and polythiophene. , 2007, Chemistry.
[19] Henning Sirringhaus,et al. Electron and ambipolar transport in organic field-effect transistors. , 2007, Chemical reviews.
[20] Jean-Luc Brédas,et al. Charge transport in organic semiconductors. , 2007, Chemical reviews.
[21] Priya J. Jadhav,et al. Electric-field-dependent percolation model of charge-carrier mobility in amorphous organic semiconductors , 2007 .
[22] Sven Stafström,et al. Impact of ring torsion on the intrachain mobility in conjugated polymers , 2007 .
[23] A. Salleo. Charge transport in polymeric transistors , 2007 .
[24] Irwin Oppenheim,et al. Chemical Dynamics in Condensed Phases , 2007 .
[25] Kurt Kremer,et al. Charge mobility of discotic mesophases: a multiscale quantum and classical study. , 2007, Physical review letters.
[26] L. Zuppiroli,et al. Quantum coherence and carriers mobility in organic semiconductors , 2006, cond-mat/0609454.
[27] Ling Li,et al. Temperature and field-dependence of hopping conduction in organic semiconductors , 2007, Microelectron. J..
[28] T. Takenobu,et al. Spatial extent of wave functions of gate-induced hole carriers in pentacene field-effect devices as investigated by electron spin resonance. , 2006, Physical review letters.
[29] A. Morpurgo,et al. Tunable Fröhlich polarons in organic single-crystal transistors , 2006, Nature materials.
[30] John E Anthony,et al. Functionalized acenes and heteroacenes for organic electronics. , 2006, Chemical reviews.
[31] M. Ratner,et al. Quantum chemical analysis of electronic structure and n- and p-type charge transport in perfluoroarene-modified oligothiophene semiconductors. , 2006, The journal of physical chemistry. B.
[32] O. Ostroverkhova,et al. Anisotropy of transient photoconductivity in functionalized pentacene single crystals , 2006 .
[33] A. Cammidge. The effect of size and shape variation in discotic liquid crystals based on triphenylene cores , 2006, Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences.
[34] R. Weiss,et al. Cis → trans and trans → cis isomerizations of styrylcoumarins in the solid state. Importance of the location of free volume in crystal lattices , 2006, Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology.
[35] L. Siebbeles,et al. Charge transport along phenylenevinylene molecular wires , 2006 .
[36] K. Kremer,et al. Atomistic simulation of structure and dynamics of columnar phases of hexabenzocoronene derivatives. , 2006, The Journal of chemical physics.
[37] Efficient charge transport along phenylene-vinylene molecular wires. , 2006, The journal of physical chemistry. B.
[38] Edward F. Valeev,et al. Effect of electronic polarization on charge-transport parameters in molecular organic semiconductors. , 2006, Journal of the American Chemical Society.
[39] H. Bock,et al. An Efficient Route to Stable Room-Temperature Liquid-Crystalline Triphenylenes , 2006 .
[40] D. Bradley,et al. Temperature and field dependence of hole mobility in poly(9,9-dioctylfluorene) , 2006 .
[41] D. Schulz,et al. Defect contributions to conductivity in poly(3‐hexylthiophene)? , 2006 .
[42] N. Koch,et al. Evidence for temperature-dependent electron band dispersion in pentacene. , 2006, Physical review letters.
[43] Michael E. Gershenson,et al. Ultrafast carrier dynamics in pentacene, functionalized pentacene, tetracene, and rubrene single crystals , 2006 .
[44] Alessandro Troisi,et al. Charge-transport regime of crystalline organic semiconductors: diffusion limited by thermal off-diagonal electronic disorder. , 2006, Physical review letters.
[45] G. Wegner,et al. Modeling of molecular packing and conformation in oligofluorenes. , 2006, The journal of physical chemistry. B.
[46] M. Toney,et al. Highly oriented crystals at the buried interface in polythiophene thin-film transistors , 2006 .
[47] Junbiao Peng,et al. First-principle band structure calculations of tris(8-hydroxyquinolinato)aluminum. , 2006, The journal of physical chemistry. B.
[48] R. J. Kline,et al. Morphology and Charge Transport in Conjugated Polymers , 2006 .
[49] Alessandro Troisi,et al. Dynamics of the intermolecular transfer integral in crystalline organic semiconductors. , 2005, The journal of physical chemistry. A.
[50] C. Zannoni,et al. Columnar and interdigitated structures from apolar discotic mesogens with radial dipoles: a Monte Carlo study , 2005 .
[51] John E. Anthony,et al. Electronic interactions and thermal disorder in molecular crystals containing cofacial pentacene units , 2005 .
[52] Mark R. Wilson,et al. Progress in computer simulations of liquid crystals , 2005 .
[53] P. Blom,et al. Unified description of charge-carrier mobilities in disordered semiconducting polymers. , 2005, Physical review letters.
[54] R. Street,et al. Transport in polycrystalline polymer thin-film transistors , 2005 .
[55] Jean M. J. Fréchet,et al. Dependence of Regioregular Poly(3-hexylthiophene) Film Morphology and Field-Effect Mobility on Molecular Weight , 2005 .
[56] M. Ratner,et al. Electronic structure and band gaps in cationic heterocyclic oligomers. Multidimensional analysis of the interplay of heteroatoms, substituents, molecular length, and charge on redox and transparency characteristics. , 2005, The journal of physical chemistry. B.
[57] P. Dowben,et al. The electronic structure of oriented poly[2-methoxy-5-(2’-ethyl-hexyloxy)- 1,4-phenylene-vinylene] , 2005 .
[58] A. Troisi,et al. Band structure of the four pentacene polymorphs and effect on the hole mobility at low temperature. , 2005, The journal of physical chemistry. B.
[59] John E. Anthony,et al. Bandlike transport in pentacene and functionalized pentacene thin films revealed by subpicosecond transient photoconductivity measurements , 2005 .
[60] I. Chao,et al. Effect of perfluorination on the charge-transport properties of organic semiconductors: density functional theory study of perfluorinated pentacene and sexithiophene , 2005 .
[61] S. Clark,et al. First-principles studies of the structural and electronic properties of poly-para-phenylene vinylene , 2004 .
[62] Abhishek P. Kulkarni,et al. Electron Transport Materials for Organic Light-Emitting Diodes , 2004 .
[63] David Beljonne,et al. Charge-transfer and energy-transfer processes in pi-conjugated oligomers and polymers: a molecular picture. , 2004, Chemical reviews.
[64] W. R. Salaneck,et al. Electronic delocalization in discotic liquid crystals: a joint experimental and theoretical study. , 2004, Journal of the American Chemical Society.
[65] Michael A. Haase,et al. Recent Progress in Organic Electronics: Materials, Devices, and Processes , 2004 .
[66] Intrinsic hole mobility and trapping in a regioregular poly(thiophene) , 2004, cond-mat/0407502.
[67] W. Fix,et al. From polymer transistors toward printed electronics , 2004 .
[68] Niyazi Serdar Sariciftci,et al. Organic solar cells: An overview , 2004 .
[69] C. Rovira,et al. Correlation between crystal structure and mobility in organic field-effect transistors based on single crystals of tetrathiafulvalene derivatives. , 2004, Journal of the American Chemical Society.
[70] G. Cinacchi,et al. Atomistic molecular dynamics simulation of hexakis(pentyloxy)triphenylene: Structure and translational dynamics of its columnar state , 2004 .
[71] Oana D. Jurchescu,et al. Effect of impurities on the mobility of single crystal pentacene , 2004, cond-mat/0404130.
[72] J. Brédas,et al. A multimode analysis of the gas-phase photoelectron spectra in oligoacenes. , 2004, The Journal of chemical physics.
[73] J. Rogers,et al. Intrinsic charge transport on the surface of organic semiconductors. , 2004, Physical review letters.
[74] Michael G Debije,et al. The optical and charge transport properties of discotic materials with large aromatic hydrocarbon cores. , 2004, Journal of the American Chemical Society.
[75] Qiang Huang,et al. Computer simulation of long side-chain substituted poly(phenylene vinylene) polymers. , 2004, Chemphyschem : a European journal of chemical physics and physical chemistry.
[76] Georg Kresse,et al. Theory of polaron bandwidth narrowing in organic molecular crystals , 2004 .
[77] K. Ogawa,et al. X-ray diffraction analysis of nonequilibrium states in crystals: observation of an unstable conformer in flash-cooled crystals. , 2004, Journal of the American Chemical Society.
[78] J. Brédas,et al. Charge transport properties in discotic liquid crystals: a quantum-chemical insight into structure-property relationships. , 2004, Journal of the American Chemical Society.
[79] D V Lang,et al. Amorphouslike density of gap states in single-crystal pentacene. , 2004, Physical review letters.
[80] E. Venuti,et al. Organic Semiconductors: Polymorphism, Phonon Dynamics and Carrier-Phonon Coupling in Pentacene , 2003, cond-mat/0307115.
[81] S. Ciuchi,et al. Dynamical mean-field theory of transport of small polarons. , 2003, Physical review letters.
[82] P. Blom,et al. Unification of the hole transport in polymeric field-effect transistors and light-emitting diodes. , 2003, Physical review letters.
[83] M. Winokur,et al. Nanoscale structure–property relationships in conjugated polymers: Implications for present and future device applications , 2003 .
[84] D. Bradley,et al. Investigation of transport properties in polymer/fullerene blends using time-of-flight photocurrent measurements , 2003 .
[85] K. Senthilkumar,et al. Charge transport in columnar stacked triphenylenes: Effects of conformational fluctuations on charge transfer integrals and site energies , 2003 .
[86] Jean M. J. Fréchet,et al. Controlling the Field‐Effect Mobility of Regioregular Polythiophene by Changing the Molecular Weight , 2003 .
[87] Stephen R. Forrest,et al. Efficient bulk heterojunction photovoltaic cells using small-molecular-weight organic thin films , 2003, Nature.
[88] S. Kelly,et al. Liquid Crystals for Charge Transport, Luminescence, and Photonics , 2003 .
[89] S. Sysoev,et al. Single-crystal organic field effect transistors with the hole mobility ∼8 cm2/V s , 2003, cond-mat/0306192.
[90] Guangming Wang,et al. Increased mobility from regioregular poly(3-hexylthiophene) field-effect transistors , 2003 .
[91] J. Ryckaert,et al. Influence of shape and energy anisotropies on the phase diagram of discotic molecules. , 2003, Physical review. E, Statistical, nonlinear, and soft matter physics.
[92] G. Kearley,et al. Dynamics of a triphenylene discotic molecule, HAT6, in the columnar and isotropic liquid phases. , 2003, Journal of the American Chemical Society.
[93] Yuan-Chung Cheng,et al. Three-dimensional band structure and bandlike mobility in oligoacene single crystals: A theoretical investigation , 2003 .
[94] G. Wijs,et al. Anisotropy of the mobility of pentacene from frustration , 2003, cond-mat/0301078.
[95] J. Brédas,et al. Hole- and electron-vibrational couplings in oligoacene crystals: intramolecular contributions. , 2002, Physical review letters.
[96] Lin H. Yang,et al. Structural and electronic properties of pentacene molecule and molecular pentacene solid , 2002, cond-mat/0211420.
[97] Florian Müller-Plathe,et al. Coarse-graining in polymer simulation: from the atomistic to the mesoscopic scale and back. , 2002, Chemphyschem : a European journal of chemical physics and physical chemistry.
[98] M. Itkis,et al. Band electronic structure of one- and two-dimensional pentacene molecular crystals , 2002 .
[99] M. Ratner,et al. Intramolecular charge transport along isolated chains of conjugated polymers: Effect of torsional disorder and polymerization defects , 2002 .
[100] Jean-Luc Brédas,et al. Charge Transport in Discotic Liquid Crystals: A Molecular Scale Description , 2002 .
[101] J. P. Calbert,et al. Organic semiconductors: A theoretical characterization of the basic parameters governing charge transport , 2002, Proceedings of the National Academy of Sciences of the United States of America.
[102] K. Ogawa,et al. Invisible but common motion in organic crystals: a pedal motion in stilbenes and azobenzenes. , 2001, Journal of the American Chemical Society.
[103] A. Troisi,et al. The hole transfer in DNA: calculation of electron coupling between close bases , 2001 .
[104] M. Chipara,et al. Comparison of the π-conjugated ring orientations in polyaniline and polypyrrole , 2001 .
[105] D. Morton-Blake,et al. The thermochromism of poly(3-alkylthiophene)s: the role of the side chains , 2001 .
[106] Crystal design of organic pigments — a prototype discipline of materials science , 2001 .
[107] D. Morton-Blake,et al. An atomistic simulation of the effect of pressure on conductive polymers , 2001 .
[108] Y. Tokura,et al. Hysteretic Thermochromism of Regioregular Poly(3-alkylthiophene) Thin Films , 2001 .
[109] Richard L. Martin,et al. Molecular geometry fluctuations and field-dependent mobility in conjugated polymers , 2001 .
[110] D. Morton-Blake,et al. Thermochromic distortions in a poly(3-alkylthiophene): an atomistic simulation investigation , 2000 .
[111] O. Inganäs,et al. Structural anisotropy of poly(alkylthiophene) films , 2000 .
[112] Jiang,et al. Two-dimensional electronic excitations in self-assembled conjugated polymer nanocrystals , 2000, Science.
[113] A R Bishop,et al. Molecular geometry fluctuation model for the mobility of conjugated polymers. , 2000, Physical review letters.
[114] R. Silbey,et al. Almost temperature independent charge carrier mobilities in liquid crystals , 2000 .
[115] C. Zannoni,et al. Columnar phases and field induced biaxiality of a Gay–Berne discotic liquid crystal , 2000 .
[116] John M. Warman,et al. Record Charge Carrier Mobility in a Room‐Temperature Discotic Liquid‐Crystalline Derivative of Hexabenzocoronene , 1999 .
[117] E. W. Meijer,et al. Two-dimensional charge transport in self-organized, high-mobility conjugated polymers , 1999, Nature.
[118] George G. Malliaras,et al. Temperature- and field-dependent electron and hole mobilities in polymer light-emitting diodes , 1999 .
[119] Thomas N. Jackson,et al. Pentacene organic thin-film transistors for circuit and display applications , 1999 .
[120] Paul Ernest Parris,et al. Essential Role of Correlations in Governing Charge Transport in Disordered Organic Materials , 1998 .
[121] John M. Warman,et al. MECHANISM OF CHARGE TRANSPORT ALONG COLUMNAR STACKS OF A TRIPHENYLENE DIMER , 1998 .
[122] M. Lannoo,et al. Electron-phonon coupling for aromatic molecular crystals: Possible consequences for their superconductivity , 1998 .
[123] Mats Andersson,et al. Laminated fabrication of polymeric photovoltaic diodes , 1998, Nature.
[124] S. Forrest,et al. Highly efficient phosphorescent emission from organic electroluminescent devices , 1998, Nature.
[125] Mark R. Wilson,et al. Molecular dynamics simulations of liquid crystal phases using atomistic potentials , 1998 .
[126] C. Zannoni,et al. Directional energy transfer in columnar liquid crystals: A computer-simulation study , 1998 .
[127] John M. Warman,et al. Highly mobile electrons and holes on isolated chains of the semiconducting polymer poly(phenylene vinylene) , 1998, Nature.
[128] John W. Goodby,et al. Handbook of liquid crystals , 1998 .
[129] M. Vissenberg,et al. Theory of the field-effect mobility in amorphous organic transistors , 1998, cond-mat/9802133.
[130] Richard D. McCullough,et al. THE CHEMISTRY OF CONDUCTING POLYTHIOPHENES , 1998 .
[131] D. Morton-Blake,et al. ATOMISTIC INVESTIGATION OF THERMOCHROMISM IN A POLY(3-ALKYLTHIOPHENE) , 1997 .
[132] I. Brovchenko. Lattice relaxation in molecular crystals with localized charges , 1997 .
[133] Thomas N. Jackson,et al. Pentacene-based organic thin-film transistors , 1997 .
[134] C. Zannoni,et al. MONTE CARLO SIMULATION OF DISCOTIC GAY-BERNE MESOGENS WITH AXIAL DIPOLE , 1997 .
[135] Zhenan Bao,et al. Soluble and processable regioregular poly(3‐hexylthiophene) for thin film field‐effect transistor applications with high mobility , 1996 .
[136] K. Müllen,et al. Columnar mesophases of alkylated hexa-peri-hexabenzocoronenes with remarkably large phase widths , 1996 .
[137] Movaghar,et al. Mechanism of charge transport in discotic liquid crystals. , 1995, Physical review. B, Condensed matter.
[138] E. O. Arikainen,et al. Effects of side-chain length on the charge transport properties of discotic liquid crystals and their implications for the transport mechanism , 1995 .
[139] Roald Hoffmann,et al. A THEORETICAL STUDY OF CRYSTALLOCHROMY. QUANTUM INTERFERENCE EFFECTS IN THE SPECTRA OF PERYLENE PIGMENTS , 1994 .
[140] Conwell,et al. First-principles calculation of the three-dimensional band structure of poly(phenylene vinylene). , 1993, Physical review. B, Condensed matter.
[141] H. Bässler. Charge Transport in Disordered Organic Photoconductors a Monte Carlo Simulation Study , 1993 .
[142] T. Arias,et al. Iterative minimization techniques for ab initio total energy calculations: molecular dynamics and co , 1992 .
[143] S. Kondo,et al. A Computational Approach to the Structure and Motion of Hexakis(pentyloxy)triphenylene(THE5) in Discotic Mesophase. , 1992 .
[144] A. Maliniak. Molecular dynamics of discotics in the isotropic phase , 1992 .
[145] K. Yoshino,et al. Structure and thermochromic solid‐state phase transition of poly (3‐alkylthiophene) , 1991 .
[146] R. N. Marks,et al. Light-emitting diodes based on conjugated polymers , 1990, Nature.
[147] Campbell,et al. First-principles calculations of the three-dimensional structure and intrinsic defects in trans-polyacetylene. , 1990, Physical review. B, Condensed matter.
[148] Gilles Horowitz,et al. A field-effect transistor based on conjugated alpha-sexithienyl , 1989 .
[149] Campbell,et al. Three-dimensional structure and intrinsic defects in trans-polyacetylene. , 1989, Physical review letters.
[150] Dunlap,et al. Unified theory of the mobilities of photoinjected electrons in naphthalene. , 1989, Physical review letters.
[151] R. Nolte,et al. Homologous series of liquid-crystalline metal free and copper octa-n-alkoxyphthalocyanines , 1989 .
[152] W. R. Salaneck,et al. Thermochromism in poly(3‐hexylthiophene) in the solid state: A spectroscopic study of temperature‐dependent conformational defects , 1988 .
[153] R. Friend,et al. New semiconductor device physics in polymer diodes and transistors , 1988, Nature.
[154] Nevill Mott,et al. Conduction in non-crystalline materials , 1989 .
[155] R. Silbey,et al. Theory of electronic transport in molecular crystals. II. Zeroth order states incorporating nonlocal linear electron–phonon coupling , 1985 .
[156] W. Warta,et al. Hot holes in naphthalene: High, electric-field-dependent mobilities. , 1985, Physical review. B, Condensed matter.
[157] C. Jacoboni,et al. The Monte Carlo method for the solution of charge transport in semiconductors with applications to covalent materials , 1983 .
[158] B. Berne. Modification of the overlap potential to mimic a linear site-site potential , 1981 .
[159] Joshua Jortner,et al. Temperature dependent activation energy for electron transfer between biological molecules , 1976 .
[160] I. Vilfan. Small polaron model of the electron motion in organic molecular crystals , 1973 .
[161] T. Holstein,et al. Studies of polaron motion: Part II. The “small” polaron , 1959 .
[162] Rudolph A. Marcus,et al. Electrostatic Free Energy and Other Properties of States Having Nonequilibrium Polarization. I , 1956 .
[163] D. D. Eley. Phthalocyanines as Semiconductors , 1948, Nature.