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The spectral breadth of conjugated polymers gives these materials a clear advantage over other molecular compounds for organic photovoltaic applications and is a key factor in recent efficiencies topping 10%. But why do excitonic…

Exciton polaritons, arising from the interaction of electronic transitions with confined electromagnetic fields, have emerged as a powerful tool to manipulate the properties of organic materials. However, standard experimental and…

Highly doped Poly(3,4-ethylenedioxythiophene) or PEDOT is a conductive polymer with a wide range of applications in energy conversion due to its ease of processing, optical properties and high conductivity. The latter is influenced by…

Mesoscale and Nanoscale Physics · Physics 2017-01-04 David Gelbwaser-Klimovsky , Semion K. Saikin , Randall H. Goldsmith , Alán Aspuru-Guzik

Ultrathin polymer-graphene heterostructures are promising materials for next generation optoelectronic and photovoltaic technologies, while the influence of the polymer's structural variation on interfacial charge transfer remains unclear.…

Materials Science · Physics 2025-12-25 Yosra Mater , Salih Demirci , V. Ongun Özçelik

Pi-conjugated segments - chromophores - constitute the electronically active units of polymer materials used in organic electronics. To elucidate the effect of bending of these linear moieties on elementary electronic properties such as…

Employing high-vacuum electrospray deposition and scanning tunneling microscopy, we investigated how individual poly(3-hexylthiophene) (P3HT) chains navigated on the periodic energy landscape of a reconstructed Au(111) surface. The…

Conjugated polymers can be reversibly doped by electrochemical means. This doping introduces new sub-bandgap optical absorption bands in the polymer while decreasing the bandgap absorption. To study this behavior, we have prepared an…

Materials Science · Physics 2015-05-27 J. Hwang , M. Nikolou , B. Ihas , R. Clark , M. Cornick , D. B. Tanner , I. Schwendeman , J. R. Reynolds

We present a method to manipulate the final morphology of roll-to-roll slot-die coated poly(3-hexylthiophene) (P3HT) by optically exciting the p-type polymer in solution while coating. Our results provide a comprehensive picture of the…

Inter- or intramolecular coupling processes between chromophores such as excimer formation or H- and J-aggregation are crucial to describing the photophysics of closely packed films of conjugated polymers. Such coupling is highly distance…

There is an enormous potential in applying conjugated polymers in novel organic opto-electronic devices such as light emitting diodes and solar cells. Although prototypes and first products exist, a comprehensive understanding of the…

We present a theoretical study of degradation mechanisms for photoinduced oxidation in organic polymers in the condensed phase, using poly(3-hexylthiophene)(P3HT) as an example. Applying density functional theory with a hybrid density…

Materials Science · Physics 2017-09-13 Na Sai , Kevin Leung , Judit Zádor , Graeme Henkelman

The description of excited state dynamics in multichromophoric systems constitutes both a theoretical and experimental challenge in modern physical chemistry. An experimental protocol which can systematically characterize both coherent and…

Quantum Physics · Physics 2011-10-31 Joel Yuen-Zhou , Jacob J. Krich , Masoud Mohseni , Alán Aspuru-Guzik

Charge carriers in organic semiconductors form polarons, which are self-localized states stabilized by interactions with their environment. Using a dielectric-stabilized tight-binding model parameterized from first-principles calculations,…

Materials Science · Physics 2025-10-22 Vishal Jindal , Scott T. Milner

Conjugated polymers are increasingly used as organic mixed ionic-electronic conductors in electrochemical devices for neuromorphic computing, bioelectronics and energy harvesting. The design of efficient applications relies on high…

The green fluorescent protein (GFP) chromophore is an asymmetric monomethine dye system. In the resonance color theory of dyes, a strong optical excitation arises from interactions of two valence-bond structures with a third, higher…

Chemical Physics · Physics 2015-05-18 Seth Olsen , Ross H. McKenzie

Photosynthesis relies on a network of chlorophyll-like molecules which together lead to efficient long-range energy funneling. Evidence at cryogenic temperatures suggests that mechanistic details of energy/charge transfer must invoke…

Chemical Physics · Physics 2025-07-16 Asha S. Thomas , Camelia Roy , Vivek N. Bhat , Indranil Roy , Vivek Tiwari

Carbon dots (CDs) are renowned for their bright and tunable photoluminescence (PL), stability, and biocompatibility, yet it remains challenging to link their heterogeneous structures to their spectroscopic properties. This study utilizes…

Chemical Physics · Physics 2025-11-18 Arshad Mehmood , Caitlin V. Hetherington , Zain Zaidi , Benjamin G. Levine

We study the structural and thermodynamic properties of patchy particle liquids, with a special focus on the role of "color", i.e. specific interactions between individual patches. A possible experimental realization of such "chromatic"…

Soft Condensed Matter · Physics 2015-07-22 Oleg A. Vasilyev , Boris A. Klumov , Alexei V. Tkachenko

Charge-carrier transport in a paradigmatic semicrystalline polymer semiconductor (P3HT) is important for both fundamental understanding and applications. In samples with enhanced structural disorder due to ad-hoc point defects, the mobility…

Soft Condensed Matter · Physics 2016-07-20 Breanndan O. Conchuir , Carlo Tarantini , Chris R. McNeill , Sven Hüttner , Alessio Zaccone

Positional polymorphism in solids refers to locally disordered unit cells that, on average, reproduce the high-symmetry structures observed in diffraction experiments. Standard theories of electron-phonon interactions fail to describe the…

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