Search Results - "Ryno, Sean M"
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Impact of Molecular Packing on Electronic Polarization in Organic Crystals: The Case of Pentacene vs TIPS-Pentacene
Published in Journal of the American Chemical Society (30-04-2014)“…Polarization energy corresponds to the stabilization of the cation or anion state of an atom or molecule when going from the gas phase to the solid state. The…”
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Effect of Molecular Packing and Charge Delocalization on the Nonradiative Recombination of Charge-Transfer States in Organic Solar Cells
Published in Advanced energy materials (01-12-2016)“…In organic solar cells, a major source of energy loss is attributed to nonradiative recombination from the interfacial charge transfer states to the ground…”
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Molecular Understanding of Fullerene – Electron Donor Interactions in Organic Solar Cells
Published in Advanced energy materials (24-05-2017)“…Organic solar cells hold promise of providing low‐cost, renewable power generation, with current devices providing up to 13% power conversion efficiency. The…”
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Impact of Molecular Orientation and Packing Density on Electronic Polarization in the Bulk and at Surfaces of Organic Semiconductors
Published in ACS applied materials & interfaces (08-06-2016)“…The polarizable environment surrounding charge carriers in organic semiconductors impacts the efficiency of the charge transport process. Here, we consider two…”
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Polarization Energies at Organic–Organic Interfaces: Impact on the Charge Separation Barrier at Donor–Acceptor Interfaces in Organic Solar Cells
Published in ACS applied materials & interfaces (22-06-2016)“…We probe the energetic landscape at a model pentacene/fullerene (C60) interface to investigate the interactions between positive and negative charges, which…”
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Crystal Engineering of Dibenzothiophenothieno[3,2‑b]thiophene (DBTTT) Isomers for Organic Field-Effect Transistors
Published in Chemistry of materials (13-11-2018)“…Three thiophene ring-terminated benzothieno[3,2-b]benzothiophene (BTBT) derivatives, C-C6-DBTTT, C-C12-DBTTT, and L-C12-DBTTT, were designed and synthesized,…”
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Electronic Polarization Effects upon Charge Injection in Oligoacene Molecular Crystals: Description via a Polarizable Force Field
Published in Journal of physical chemistry. C (11-07-2013)“…Understanding the nature and magnitude of the electronic polarization due to the presence of a charge carrier in organic molecular solids is of fundamental…”
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Reconsidering the Roles of Noncovalent Intramolecular “Locks” in π‑Conjugated Molecules
Published in Chemistry of materials (14-12-2021)“…The extrinsic properties of organic semiconductors (OSC) are connected both to local and long-range thin-film morphologies. While it is desirable to…”
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Noncovalent Interactions and Impact of Charge Penetration Effects in Linear Oligoacene Dimers and Single Crystals
Published in Chemistry of materials (14-06-2016)“…Noncovalent interactions determine in large part the thermodynamic aspects of molecular packing in organic crystals. Using a combination of symmetry-adapted…”
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Oxidation Pathways Involving a Sulfide-Endcapped Donor–Acceptor–Donor π‑Conjugated Molecule and Antimony(V) Chloride
Published in The journal of physical chemistry. B (02-05-2019)“…The oxidation pathways and products of a discrete, sulfide-endcapped donor–acceptor–donor (D/A/D) molecule, namely,…”
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Determination of the Free Energies of Mixing of Organic Solutions through a Combined Molecular Dynamics and Bayesian Statistics Approach
Published in Journal of chemical information and modeling (23-03-2020)“…As new generations of thin-film semiconductors are moving toward solution-based processing, the development of printing formulations will require information…”
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Solvent–Molecule Interactions Govern Crystal-Habit Selection in Naphthalene Tetracarboxylic Diimides
Published in Chemistry of materials (10-12-2019)“…Controlling hierarchical structural development in organic semiconductors, and across synthetic materials more broadly, is critical to the performance of the…”
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Presence of Short Intermolecular Contacts Screens for Kinetic Stability in Packing Polymorphs
Published in Journal of the American Chemical Society (20-06-2018)“…Polymorphism is pervasive in molecular solids. While computational predictions of the molecular polymorphic landscape have improved significantly, identifying…”
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Effect of Halogenation on the Energetics of Pure and Mixed Phases in Model Organic Semiconductors Composed of Anthradithiophene Derivatives and C60
Published in Journal of physical chemistry. C (08-03-2018)“…Halogenation, particularly fluorination, is commonly used to manipulate the energetics, stability, and morphology of organic semiconductors. In the case of…”
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Thermomechanical enhancement of DPP‐4T through purposeful π‐conjugation disruption
Published in Journal of polymer science (2020) (01-02-2022)“…The design of polymer‐based organic semiconductors that offer mechanical deformability while maintaining efficient semiconducting characteristics remains a…”
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