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Pentacene

A Alvertis, J Haber, E Engel, S Sharifzadeh, J Neaton, Phonon-Induced Localization of Excitons in Molecular Crystals from First Principles, PRL 130, 086401 (2023)

L Craciunescu, S Wirsing, S Hammer, K Broch, A Dreuw, F Fantuzzi, V Sivanesan, P Tegeder, B Engels, Accurate Polarization-Resolved Absorption Spectra of Organic Semiconductor Thin Films Using First-Principles Quantum-Chemical Methods: Pentacene as a Case Study, JPCL 13, 3726 (2022) – doi, xyz

Y Qian, X Li, A Harutyunyan, G Chen, Y Rao, H Chen, Herzberg-Teller Effect on the Vibrationally Resolved Absorption Spectra of Single-Crystalline Pentacene at Finite Temperatures, JPCA 124, 9156 (2020)

J Lederer, W Kaiser, A Mattoni, A Gagliardi, Machine Learning-Based Charge Transport Computation for Pentacene, ATS 2018, 1800136 (2018)

N J Hestand, H Yamagata, B Xu, D Sun, Y Zhong, A R Harutyunyan, G Chen, H Dai, Y Rao, F C Spano, Polarized Absorption in Crystalline Pentacene: Theory vs Experiment, JPCC 119, 22137 (2015)

A A Bakulin, R Lovrincic, X Yu, O Selig, H J Bakker, Y L A Rezus, P K Nayak, A Fonari, V Coropceanu, J L Bredas, D Cahen, Mode-selective vibrational modulation of charge transport in organic electronic devices, Nat Commun 6, 7880 (2015)

S G Engelbrecht, M Prinz, T R Arend, R Kersting, Terahertz spectroscopy on hole transport in pentacene thin films, APL 105, 012101 (2014) – doi

N Pavlicek, I Swart, J Niedenfuhr, G Meyer, J Repp, Symmetry Dependence of Vibration-Assisted Tunneling, PRL 110, 136101 (2013)

D Beljonne, H Yamagata, J L Bredas, F C Spano, Y Olivier, Charge-Transfer Excitations Steer the Davydov Splitting and Mediate Singlet Exciton Fission in Pentacene, PRL 110, 226402 (2013)

Y Yi, V Coropceanu, J L Bredas, Nonlocal electron-phonon coupling in the pentacene crystal: Beyond the Gamma-point approximation, JCP 137, 164303 (2012) – R

S Ciuchi, R C Hatch, H Hochst, C Faber, X Blase, S Fratini, Molecular fingerprints in the electronic properties of crystalline organic semiconductors: from experiment to theory, PRL 108, 256401 (2012) – doi

R C Hatch, D L Huber, H Hochst, Electron-Phonon Coupling in Crystalline Pentacene Films, PRL 104, 047601 (2010)

S Di Motta, E Di Donato, F Negri, G Orlandi, D Fazzi, C Castiglioni, Resistive molecular memories: influence of molecular parameters on the electrical bistability, JACS 131, 6591 (2009)

N Koch, A Vollmer, I Salzmann, B Nickel, H Weiss, J P Rabe, Evidence for Temperature-Dependent Electron Band Dispersion in Pentacene, PRL 96, 156803 (2006)

R G Della Valle, E Venuti, L Farina, A Brillante, M Masino, A Girlando, Intramolecular and Low-Frequency Intermolecular Vibrations of Pentacene Polymorphs as a Function of Temperature, JPCB 108, 1822 (2004)

Structure

A Landi, A Troisi, A Peluso, Explaining different experimental hole mobilities: influence of polymorphism on dynamic disorder in pentacene, JMCC 7, 9665 (2019)

H Yoshida, N Sato, Crystallographic and electronic structures of three different polymorphs of pentacene, PRB 77, 235205 (2008) – cif

S Schiefer, M Huth, A Dobrinevski, B Nickel, Determination of the Crystal Structure of Substrate-Induced Pentacene Polymorphs in Fiber Structured Thin Films, JACS 129, 10316 (2007) – cif

T Siegrist, C Besnard, S Haas, M Schiltz, P Pattison, D Chernyshov, B Batlogg, C Kloc, A Polymorph Lost and Found: The High-Temperature Crystal Structure of Pentacene, AM 19, 2079 (2007) – cif

C C Mattheus, A B Dros, J Baas, G T Oostergetel, A Meetsma, J L de Boer, T T M Palstra, Identification of polymorphs of pentacene, Synthetic Metals 138, 475 (2003) – cif

TIPS-pentacene

F Steiner, C Poelking, D Niedzialek, D Andrienko, J Nelson, Influence of orientation mismatch on charge transport across grain boundaries in triisopropylsilylethynyl (TIPS) pentacene thin films, PCCP 19, 10854 (2017)

S Sharifzadeh, C Y Wong, H Wu, B L Cotts, L Kronik, N S Ginsberg, J B Neaton, Relating the Physical Structure and Optoelectronic Function of Crystalline TIPS-Pentacene, AFM 25, 2038 (2014)

Y Diao, K M Lenn, W Lee, M A Blood-Forsythe, J Xu, Y Mao, Y Kim, J A Reinspach, S Park, A Aspuru-Guzik, G Xue, P Clancy, Z Bao, S C B Mannsfeld, Understanding Polymorphism in Organic Semiconductor Thin Films through Nanoconfinement, JACS 136, 17046 (2014)

G Giri, S Park, M Vosgueritchian, M M Shulaker, Z Bao, High-Mobility, Aligned Crystalline Domains of TIPS-Pentacene with Metastable Polymorphs Through Lateral Confi nement of Crystal Growth, AM 26, 487 (2014)

G Giri, E Verploegen, S C B Mannsfeld, S Atahan-Evrenk, D H Kim, S Y Lee, H A Becerril, A Aspuru-Guzik, M F Toney, Z Bao, Tuning charge transport in solution-sheared organic semiconductors using lattice strain, Nature 480, 504 (2011)

J E Anthony, J S Brooks, D L Eaton, S R Parkin, Functionalized Pentacene: Improved Electronic Properties from Control of Solid-State Order, JACS 123, 9482 (2001) – cif

Other derivatives

M Wang, J Li, G Zhao, Q Wu, Y Huang, W Hu, X Gao, H Li, D Zhu, High-Performance Organic Field-Effect Transistors Based on Single and Large-Area Aligned Crystalline Microribbons of 6,13-Dichloropentacene, AM 25, 2229 (2013)

J Li, M Wang, S Ren, X Gao, W Hong, H Li, D Zhu, High performance organic thin film transistor based on pentacene derivative: 6,13-dichloropentacene, Journal of Materials Chemistry 22, 10496 (2012) – cif