Emergent Properties of an Organic Semiconductor Driven by its Molecular Chirality
Ying Yang,Beth Rice,Xingyuan Shi,Jochen R. Brandt,Rosenildo Correa da Costa,Gordon J. Hedley,Detlef-M. Smilgies,Jarvist M. Frost,Jarvist M. Frost,Ifor D. W. Samuel,Alberto Otero-de-la-Roza,Erin R. Johnson,Kim E. Jelfs,Jenny Nelson,Alasdair J. Campbell,Matthew J. Fuchter +15 more
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TLDR
It is shown that organic field-effect transistors made from the helically chiral molecule 1-aza[6]helicene can display up to an 80-fold difference in hole mobility, together with differences in thin-film photophysics and morphology, solely depending on whether a single handedness or a 1:1 mixture of left- and right-handed molecules is employed under analogous fabrication conditions.Abstract:
Chiral molecules exist as pairs of nonsuperimposable mirror images; a fundamental symmetry property vastly underexplored in organic electronic devices. Here, we show that organic field-effect transistors (OFETs) made from the helically chiral molecule 1-aza[6]helicene can display up to an 80-fold difference in hole mobility, together with differences in thin-film photophysics and morphology, solely depending on whether a single handedness or a 1:1 mixture of left- and right-handed molecules is employed under analogous fabrication conditions. As the molecular properties of either mirror image isomer are identical, these changes must be a result of the different bulk packing induced by chiral composition. Such underlying structures are investigated using crystal structure prediction, a computational methodology rarely applied to molecular materials, and linked to the difference in charge transport. These results illustrate that chirality may be used as a key tuning parameter in future device applications.read more
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Modular and predictable assembly of porous organic molecular crystals
Andrew I. Cooper,Graeme M. Day,Jta Jones,Xiao-Feng Wu,Tom Hasell,John Bacsa,Kim E. Jelfs,M Scmidtmann,Sy Chong,Abbie Trewin,F Schiffman,Furio Corà,Ben Slater,Alexander Steiner +13 more
TL;DR: In this article, the authors show that highly porous crystalline solids can be produced by mixing different organic cage modules that self-assemble by means of chiral recognition, and the structures of the resulting materials can be predicted computationally, allowing in silico materials design strategies.
Journal ArticleDOI
Chiral perovskite optoelectronics
Guankui Long,Randy P. Sabatini,Makhsud I. Saidaminov,Makhsud I. Saidaminov,Girish Lakhwani,Abdullah Rasmita,Xiaogang Liu,Edward H. Sargent,Weibo Gao,Weibo Gao +9 more
TL;DR: Chiral hybrid organic-inorganic perovskites (HOIPs) as discussed by the authors are a promising material for chiroptoelectronics, spintronics and ferroelectrics.
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Enantioenriched Helicenes and Helicenoids Containing Main-Group Elements (B, Si, N, P).
TL;DR: Enantioenriched helicenic derivatives containing main-group elements B, Si, N, and P, either incorporated within the helical backbone or grafted to it, will be thoroughly presented.
Journal ArticleDOI
Circularly polarized light detection using chiral hybrid perovskite.
TL;DR: Chiral organic–inorganic hybrid perovskite based detectors are demonstrated to distinguish circularly-polarized light with high responsivity of 797 mA/W, a competitive combined feature for circularly polarized light detection.
Journal ArticleDOI
Inverting the Handedness of Circularly Polarized Luminescence from Light-Emitting Polymers Using Film Thickness
Li Wan,Jessica Wade,Francesco Salerno,Oriol Arteaga,Beth Laidlaw,Xuhua Wang,Thomas J. Penfold,Matthew J. Fuchter,Alasdair J. Campbell +8 more
TL;DR: Insight is provided into the mechanisms that result in CP luminescence and high performance from CP-PLEDs, as well as demonstrating new opportunities in CP photonic device design through the control of active layer thickness and device architecture.
References
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Projector augmented-wave method
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QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials
Paolo Giannozzi,Stefano Baroni,Stefano Baroni,Nicola Bonini,Matteo Calandra,Roberto Car,Carlo Cavazzoni,Davide Ceresoli,Guido L. Chiarotti,Matteo Cococcioni,Ismaila Dabo,Andrea Dal Corso,Andrea Dal Corso,Stefano de Gironcoli,Stefano de Gironcoli,Stefano Fabris,Stefano Fabris,Guido Fratesi,Ralph Gebauer,Ralph Gebauer,Uwe Gerstmann,Christos Gougoussis,Anton Kokalj,Michele Lazzeri,Layla Martin-Samos,Nicola Marzari,Francesco Mauri,Riccardo Mazzarello,Stefano Paolini,Alfredo Pasquarello,Lorenzo Paulatto,Lorenzo Paulatto,Carlo Sbraccia,Sandro Scandolo,Sandro Scandolo,Gabriele Sclauzero,Gabriele Sclauzero,Ari P. Seitsonen,Alexander Smogunov,Paolo Umari,Renata M. Wentzcovitch +40 more
TL;DR: QUANTUM ESPRESSO as discussed by the authors is an integrated suite of computer codes for electronic-structure calculations and materials modeling, based on density functional theory, plane waves, and pseudopotentials (norm-conserving, ultrasoft, and projector-augmented wave).
Journal ArticleDOI
Quantum ESPRESSO: a modular and open-source software project for quantum simulations of materials
Paolo Giannozzi,Stefano Baroni,Nicola Bonini,Matteo Calandra,Roberto Car,Carlo Cavazzoni,Davide Ceresoli,Guido L. Chiarotti,Matteo Cococcioni,Ismaila Dabo,A. Dal Corso,Stefano Fabris,Guido Fratesi,S. de Gironcoli,Ralph Gebauer,U. Gerstmann,Christos Gougoussis,Anton Kokalj,Michele Lazzeri,Layla Martin-Samos,Nicola Marzari,Francesco Mauri,Riccardo Mazzarello,Stefano Paolini,Alfredo Pasquarello,Lorenzo Paulatto,Carlo Sbraccia,Sandro Scandolo,Gabriele Sclauzero,Ari P. Seitsonen,Alexander Smogunov,Paolo Umari,Renata M. Wentzcovitch +32 more
TL;DR: Quantum ESPRESSO as discussed by the authors is an integrated suite of computer codes for electronic-structure calculations and materials modeling, based on density functional theory, plane waves, and pseudopotentials (norm-conserving, ultrasoft, and projector-augmented wave).