Search Results - "Lainé, Philippe P."

Modeling Dye-Sensitized Solar Cells: From Theory to Experiment by Le Bahers, Tangui, Pauporté, Thierry, Lainé, Philippe P, Labat, Frédéric, Adamo, Carlo, Ciofini, Ilaria

“…Density functional theory (DFT) and time-dependent DFT are useful computational approaches frequently used in the dye-sensitized solar cell (DSSC) community in…”
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Photoinduced Intercomponent Processes in Selectively Addressable Bichromophoric Dyads Made of Linearly Arranged Ru(II) Terpyridine and Expanded Pyridinium Components by Puntoriero, Fausto, Arrigo, Antonino, Santoro, Antonio, Ganga, Giuseppina La, Tuyèras, Fabien, Campagna, Sebastiano, Dupeyre, Grégory, Lainé, Philippe P

“…Three new linearly arranged bichromophoric systems 1–3 have been prepared, and their photophysical properties have been studied, taking also advantage of…”
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Electron Storage System Based on a Two-Way Inversion of Redox Potentials by Gosset, Alexis, Wilbraham, Liam, Lachmanová, Štěpánka Nováková, Sokolová, Romana, Dupeyre, Grégory, Tuyèras, Fabien, Ochsenbein, Philippe, Perruchot, Christian, de Rouville, Henri-Pierre Jacquot, Randriamahazaka, Hyacinthe, Pospíšil, Lubomír, Ciofini, Ilaria, Hromadová, Magdaléna, Lainé, Philippe P

“…Molecular-level multielectron handling toward electrical storage is a worthwhile approach to solar energy harvesting. Here, a strategy which uses chemical…”
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Theoretical Procedure for Optimizing Dye-Sensitized Solar Cells: From Electronic Structure to Photovoltaic Efficiency by Le Bahers, Tangui, Labat, Frédéric, Pauporté, Thierry, Lainé, Philippe P, Ciofini, Ilaria

“…A step-by-step theoretical protocol based on density functional theory (DFT) and time-dependent DFT at both the molecular and periodic levels is proposed for…”
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Environmental Control of Single‐Molecule Junction Evolution and Conductance: A Case Study of Expanded Pyridinium Wiring by Nováková Lachmanová, Štěpánka, Kolivoška, Viliam, Šebera, Jakub, Gasior, Jindřich, Mészáros, Gábor, Dupeyre, Grégory, Lainé, Philippe P., Hromadová, Magdaléna

“…Environmental control of single‐molecule junction evolution and conductance was demonstrated for expanded pyridinium molecules by scanning tunneling microscopy…”
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Are Redox-Active Centers Bridged by Saturated Flexible Linkers Systematically Electrochemically Independent? by Vaněčková, Eva, Dahmane, Mustapha, Forté, Jérémy, Cherraben, Sawsen, Pham, Xuan-Qui, Sokolová, Romana, Brémond, Éric, Hromadová, Magdaléna, Lainé, Philippe P

“…The extent to which electrophores covalently bridged by a saturated linker are electrochemically independent was investigated considering the charge/spin…”
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Photoinduced electron transfer in donor–bridge–acceptor assemblies: The case of Os(II)-bis(terpyridine)-(bi)pyridinium dyads by Arrigo, Antonino, Santoro, Antonio, Puntoriero, Fausto, Lainé, Philippe P., Campagna, Sebastiano

“…•Photoinduced electron transfer in donor–bridge–acceptor assemblies.•The role of the bridge on forward and backward electron transfer processes.•Photoinduced…”
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On the Supra‐LUMO Interaction: Case Study of a Sudden Change of Electronic Structure as a Functional Emergence by Gosset, Alexis, Lachmanová, Štěpánka Nováková, Cherraben, Sawsen, Bertho, Gildas, Forté, Jérémy, Perruchot, Christian, Rouville, Henri‐Pierre Jacquot, Pospíšil, Lubomír, Hromadová, Magdaléna, Brémond, Éric, Lainé, Philippe P.

“…The synergistic functioning of redox‐active components that emerges from prototypical 2,2′‐di(N‐methylpyrid‐4‐ylium)‐1,1′‐biphenyl is described. Interestingly,…”
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Correlation of electrochemical properties of expanded pyridinium compounds with their single molecule conductance by Lachmanová, Štěpánka Nováková, Šebera, Jakub, Kolivoška, Viliam, Gasior, Jindřich, Mészáros, Gábor, Dupeyre, Grégory, Lainé, Philippe P., Hromadová, Magdaléna

“…A series of four expanded pyridinium molecules were used to investigate the correlation between a single molecule conductance (electron transport) and redox…”
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Kinetics of Multielectron Transfers and Redox-Induced Structural Changes in N‑Aryl-Expanded Pyridiniums: Establishing Their Unusual, Versatile Electrophoric Activity by Lachmanová, Štěpánka, Dupeyre, Grégory, Tarábek, Ján, Ochsenbein, Philippe, Perruchot, Christian, Ciofini, Ilaria, Hromadová, Magdaléna, Pospíšil, Lubomír, Lainé, Philippe P

“…A combined electrochemical and theoretical study of a series of pyridinium-based electrophores, consisting of reference N-alkyl-2,4,6-triarylpyridiniums (1–3)…”
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Photoinduced Intramolecular Electron Transfer in Ruthenium and Osmium Polyads:  Insights from Theory by Ciofini, Ilaria, Lainé, Philippe P, Bedioui, Fethi, Adamo, Carlo

“…Ru(II) and Os(II) complexes (P) of [4‘-(p-phenyl)]terpyridyl ligand (ptpy) derivatized with an electron acceptor (A) of the triphenylpyridinium (H3TP+) type…”
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Adsorption of Expanded Pyridinium Molecules at the Electrified Interface and Its Effect on the Electron-Transfer Process by Lachmanová, Štěpánka Nováková, Dupeyre, Grégory, Lainé, Philippe P, Hromadová, Magdaléna

“…Adsorption properties of a series of redox-active expanded pyridinium molecules were studied at an electrified interface by cyclic and alternating current…”
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Designing Multifunctional Expanded Pyridiniums: Properties of Branched and Fused Head-to-Tail Bipyridiniums by Fortage, Jérôme, Peltier, Cyril, Nastasi, Francesco, Puntoriero, Fausto, Tuyèras, Fabien, Griveau, Sophie, Bedioui, Fethi, Adamo, Carlo, Ciofini, Ilaria, Campagna, Sebastiano, Lainé, Philippe P

“…The multifaceted potentialities of expanded pyridiniums (EPs), based on one pyridinium core bearing a 4-pyridyl or 4-pyridylium as the N-pyridinio group, are…”
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Molecular Dyads of Ruthenium(II)– or Osmium(II)–Bis(terpyridine) Chromophores and Expanded Pyridinium Acceptors: Equilibration between MLCT and Charge-Separated Excited States by Fortage, Jérôme, Dupeyre, Grégory, Tuyèras, Fabien, Marvaud, Valérie, Ochsenbein, Philippe, Ciofini, Ilaria, Hromadová, Magdaléna, Pospísil, Lubomír, Arrigo, Antonino, Trovato, Emanuela, Puntoriero, Fausto, Lainé, Philippe P, Campagna, Sebastiano

“…The synthesis, characterization, redox behavior, and photophysical properties (both at room temperature in fluid solution and at 77 K in rigid matrix) of a…”
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Expanded Pyridiniums: Bis-cyclization of Branched Pyridiniums into Their Fused Polycyclic and Positively Charged Derivatives-Assessing the Impact of Pericondensation on Structural, Electrochemical, Electronic, and Photophysical Features by Fortage, Jérôme, Tuyèras, Fabien, Ochsenbein, Philippe, Puntoriero, Fausto, Nastasi, Francesco, Campagna, Sebastiano, Griveau, Sophie, Bedioui, Fethi, Ciofini, Ilaria, Lainé, Philippe P.

“…This study evaluates the impact of the extension of the π‐conjugated system of pyridiniums on their various properties. The molecular scaffold of…”
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Tictoid Expanded Pyridiniums: Assessing Structural, Electrochemical, Electronic, and Photophysical Features by Fortage, Jérôme, Tuyèras, Fabien, Peltier, Cyril, Dupeyre, Grégory, Calboréan, Adrian, Bedioui, Fethi, Ochsenbein, Philippe, Puntoriero, Fausto, Campagna, Sebastiano, Ciofini, Ilaria, Lainé, Philippe P

“…In regard to semirigid donor–spacer–acceptor (D–S–A) dyads devised for photoinduced charge separation and built from an unsaturated spacer, there exists a…”
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Theoretical Insights into Branched and Fused Expanded Pyridiniums by the Means of Density Functional Theory by Peltier, Cyril, Adamo, Carlo, Lainé, Philippe P, Campagna, Sebastiano, Puntoriero, Fausto, Ciofini, Ilaria

“…With the aim of getting insights into the peculiar electronic, structural, and photophysical properties of four expanded pyridinium systems of potential use as…”
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Photoinduced Electron Transfer in Os(terpyridine)-biphenylene-(bi)pyridinium Assemblies by Fortage, Jérôme, Puntoriero, Fausto, Tuyèras, Fabien, Dupeyre, Grégory, Arrigo, Antonino, Ciofini, Ilaria, Lainé, Philippe P, Campagna, Sebastiano

“…A series of linearly arranged donor-spacer-acceptor (D-S-A) systems 1–3, has been prepared and characterized. These dyads combine an Os(II)bis(terpyridine)…”
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Single-Step versus Stepwise Two-Electron Reduction of Polyarylpyridiniums: Insights from the Steric Switching of Redox Potential Compression by Fortage, Jérôme, Peltier, Cyril, Perruchot, Christian, Takemoto, Yohei, Teki, Yoshio, Bedioui, Fethi, Marvaud, Valérie, Dupeyre, Grégory, Pospísil, Lubomír, Adamo, Carlo, Hromadová, Magdaléna, Ciofini, Ilaria, Lainé, Philippe P

“…Contrary to 4,4′-dipyridinium (i.e., archetypal methyl viologen), which is reduced by two single-electron transfers (stepwise reduction), the 4,1′-dipyridinium…”
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Intramolecular Spin Alignment within Mono-Oxidized and Photoexcited Anthracene-Based π Radicals as Prototypical Photomagnetic Molecular Devices: Relationships Between Electrochemical, Photophysical, and Photochemical Control Pathways by Matsumoto, Isao, Ciofini, Ilaria, Lainé, Philippe P., Teki, Yoshio

“…AnOV is a π‐conjugated radical built from an anthracene (An) unit linked by a p‐phenylene to an oxoverdazyl (OV) moiety. The mono‐oxidized (cationic) form of…”
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