Trions as Fundamental Species in Chemically Doped Polymer Semiconductors
Advanced Materials, EarlyView.This work shows that exciton–charge carrier coupling in doped polymer semiconductors gives rise to multi‐particle states, including trions—quasiparticles consisting of two holes and one electron under p‐doping—and bound exciton‐hole pairs, as identified through spectroscopic and theoretical analysis.
Hongmo Li +23 more
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United-Atom Molecular Dynamics Simulations of Strain-Induced Crystallization in Polyisoprene Melts. [PDF]
ACS Macro LettHagita K, Murashima T, Ohkuma T.
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Advanced Materials, EarlyView.ABSTRACT Accurately knowing the frontier orbital energies of the structurally disordered small‐molecule organic semiconductors that are used in optoelectronic devices such as organic light‐emitting diodes is required to rationally improve their performance. Here, we show that these energies can be deduced with a large accuracy from the peak energies of
Christian B. McDonald +7 more
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Expanding the paradigm of glycopeptide antibiotic recognition through molecular dynamics simulations. [PDF]
Commun ChemMcWhorter KL +3 more
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The Effects of Sequence Structure on the Mechanical Properties of Siloxane-Containing Polyimides: Insights from Molecular Dynamics Simulations. [PDF]
Int J Mol SciLiu L +5 more
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Effects of Imidazolium-Based Ionic Liquids on Molecular Structural Transitions of Polysulfone Using Molecular Dynamics Simulations. [PDF]
ChemphyschemGandhi CD, Sappidi P.
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Virtual Screening and Molecular Dynamics Simulations Identifying Natural Product-Derived Cathepsin K Inhibitors as Potential Therapeutics for Osteoporosis. [PDF]
Int J Mol SciTarathipayakul T +4 more
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SPAN 60 and TWEEN 60 surfactant-based niosomal vesicles: from preparation to molecular dynamics simulations. [PDF]
Nanoscale AdvJežková M +5 more
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