Search Results - "Planchat, Aurelien"

Atom Economical Photocatalytic Oxidation of Phenols and Site-Selective Epoxidation Toward Epoxyquinols by Péault, Louis, Planchat, Aurélien, Nun, Pierrick, Le Grognec, Erwan, Coeffard, Vincent

“…The discovery of a multiple-bond-forming process merging the singlet oxygen-mediated dearomatization of 3,4-disubstitued phenols and diastereo- and…”
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Determination of a Solvent Hydrogen-Bond Acidity Scale by Means of the Solvatochromism of Pyridiniurn-N-phenolate Betaine Dye 30 and PCM-TD-DFT Calculations by Ceron-Carrasco, Jose P., Jacquemin, Denis, Laurence, Christian, Planchat, Aurélien, Reichardt, Christian, Sraidi, Khadija

“…Empirical parameters of solvents describing their hydrogen-bond (HB) acidity (e.g., the Kamlet-Taft alpha parameter) are often difficult to determine for new…”
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Photoelectrochemical properties of dyads composed of porphyrin/ruthenium catalyst grafted on metal oxide semiconductors by Charisiadis, Asterios, Glymenaki, Eleni, Planchat, Aurélien, Margiola, Sofia, Lavergne-Bril, Anna-Caroline, Nikoloudakis, Emmanouil, Nikolaou, Vasilis, Charalambidis, Georgios, Coutsolelos, Athanassios G., Odobel, Fabrice

“…In the current work, we present the use of two free-base and two zinc-metallated porphyrin-ruthenium(II) polypyridine dyads, along with two reference porphyrin…”
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Engineering Processes at the Interface of p‐Semiconductor for Enhancing the Open Circuit Voltage in p‐Type Dye‐Sensitized Solar Cells by Favereau, Ludovic, Pellegrin, Yann, Hirsch, Lionel, Renaud, Adèle, Planchat, Aurélien, Blart, Errol, Louarn, Guy, Cario, Laurent, Jobic, Stéphane, Boujtita, Mohammed, Odobel, Fabrice

“…To prevent the interfacial charge recombination between injected holes in the valence band and the redox mediator in the electrolyte in p‐type dye sensitized…”
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Second Generation of Diketopyrrolopyrrole Dyes for NiO-Based Dye-Sensitized Solar Cells by Farré, Yoann, Zhang, Lei, Pellegrin, Yann, Planchat, Aurelien, Blart, Errol, Boujtita, Mohammed, Hammarström, Leif, Jacquemin, Denis, Odobel, Fabrice

“…In this study, four new diketopyrrolopyrrole (DPP) sensitizers, with a dicarboxylated triphenylamine anchoring group for attachment to NiO, were prepared and…”
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A Comparative Investigation of the Role of the Anchoring Group on Perylene Monoimide Dyes in NiO‐Based Dye‐Sensitized Solar Cells by Farré, Yoann, Maschietto, Federica, Föhlinger, Jens, Wykes, Mike, Planchat, Aurélien, Pellegrin, Yann, Blart, Errol, Ciofini, Ilaria, Hammarström, Leif, Odobel, Fabrice

“…The anchoring group of a sensitizer may strongly affect the overall properties and stability of the resulting dye‐sensitized solar cells (DSSCs) and…”
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Antenna Effect in BODIPY-(Zn)Porphyrin Entities Promotes H 2 Evolution in Dye-Sensitized Photocatalytic Systems by Nikolaou, Vasilis, Charalambidis, Georgios, Landrou, Georgios, Nikoloudakis, Emmanouil, Planchat, Aurélien, Tsalameni, Ronilnta, Junghans, Karen, Kahnt, Axel, Odobel, Fabrice, Coutsolelos, Athanassios G.

“…In this study, we report the preparation of BODIPY-(Zn)Porphyrin hybrids and their utilization in photocatalytic H 2 production from water. These entities were…”
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Synthesis and properties of novel pyranylidene-based organic sensitizers for dye-sensitized solar cells by Gauthier, Sébastien, Robin-Le Guen, Françoise, Wojcik, Laurianne, Le Poul, Nicolas, Planchat, Aurélien, Pellegrin, Yann, Level, Patricia Guevara, Szuwarski, Nadine, Boujtita, Mohammed, Jacquemin, Denis, Odobel, Fabrice

“…We report herein the synthesis of nine new molecularly engineered metal-free organic pyranylidene-based dyes as efficient photosensitizers for Dye-Sensitized…”
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TD-DFT Assessment of Functionals for Optical 0–0 Transitions in Solvated Dyes by Jacquemin, Denis, Planchat, Aurélien, Adamo, Carlo, Mennucci, Benedetta

“…Using TD-DFT, we performed simulations of the adiabatic energies of 40 fluorescent molecules for which the experimental 0–0 energies in condensed phase are…”
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Trans-disubstituted benzodiazaporphyrin: A promising hybrid dye between porphyrin and phthalocyanine for application in dye-sensitized solar cells by Andrianov, Dmitry S., Farré, Yoann, Chen, Kathy J., Warnan, Julien, Planchat, Aurelien, Jacquemin, Denis, Cheprakov, Andrei V., Odobel, Fabrice

“…[Display omitted] •A simple trans-disubstituted zinc benzodiazaporphyrin is a promising sensitizer for dye-sensitized solar cells, which opens new…”
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Choosing a Functional for Computing Absorption and Fluorescence Band Shapes with TD-DFT by Charaf-Eddin, Azzam, Planchat, Aurélien, Mennucci, Benedetta, Adamo, Carlo, Jacquemin, Denis

“…The band shapes corresponding to both the absorption and emission spectra of a set of 20 representative conjugated molecules, including recently synthesized…”
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Solvent‐Templated Electrodeposition of Mesoporous Nickel Oxide Layers for Solar Cell Applications by Koussi‐Daoud, Sana, Planchat, Aurélien, Renaud, Adèle, Pellegrin, Yann, Odobel, Fabrice, Pauporté, Thierry

“…Solvent engineering for the electrochemical preparation of porous, thick, and adherent nickel oxide layers is investigated. The deposition of this oxide is…”
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Performance of an Optimally Tuned Range-Separated Hybrid Functional for 0–0 Electronic Excitation Energies by Jacquemin, Denis, Moore, Barry, Planchat, Aurélien, Adamo, Carlo, Autschbach, Jochen

“…Using a set of 40 conjugated molecules, we assess the performance of an “optimally tuned” range-separated hybrid functional in reproducing the experimental 0–0…”
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Stereoselective Synthesis of a Bicyclic Norsesquiterpene Backbone - A Possible Route to Nardosinane Derivatives by Selaïmia-Ferdjani, Ouassila, Kar, Anirban, Chavan, Sambhaji P., Horeau, Maxime, Viault, Guillaume, Pouessel, Jacky, Guillory, Xavier, Blot, Virginie, Tessier, Arnaud, Planchat, Aurelien, Jacquemin, Denis, Dubreuil, Didier, Pipelier, Muriel

“…We have developed an efficient diastereoselective synthetic route towards a nardosinane sesquiterpene scaffold. The strategy used a key bicyclic diene…”
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New Carbazole-Based Sensitizers for p‑Type DSSCs: Impact of the Position of Acceptor Units on Device Performance by Keremane, Kavya S., Pellegrin, Yann, Planchat, Aurélien, Jacquemin, Denis, Odobel, Fabrice, Adhikari, Airody Vasudeva

“…We report the design, synthesis, and characterization of two new carbazole-based organic dyes PC1–2 as potential sensitizers for NiO-based p-type…”
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TD-DFT Vibronic Couplings in Anthraquinones: From Basis Set and Functional Benchmarks to Applications for Industrial Dyes by Jacquemin, Denis, Brémond, Eric, Planchat, Aurélien, Ciofini, Ilaria, Adamo, Carlo

“…Vibrationally resolved absorption spectra of a series of anthraquinoidic dyes have been obtained with a polarizable continuum model time-dependent density…”
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Dye-Sensitized Photoelectrosynthesis Cells for Benzyl Alcohol Oxidation Using a Zinc Porphyrin Sensitizer and TEMPO Catalyst by Nikoloudakis, Emmanouil, Pati, Palas Baran, Charalambidis, Georgios, Budkina, Darya S, Diring, Stéphane, Planchat, Aurélien, Jacquemin, Denis, Vauthey, Eric, Coutsolelos, Athanassios G, Odobel, Fabrice

“…Exploring a catalytic reaction other than water oxidation at the photoanode of a photoelectrochemical cell is probably a key feature to more efficiently…”
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A Database of Dispersion-Induction DI, Electrostatic ES, and Hydrogen Bonding α1 and β1 Solvent Parameters and Some Applications to the Multiparameter Correlation Analysis of Solvent Effects by Laurence, Christian, Legros, Julien, Chantzis, Agisilaos, Planchat, Aurélien, Jacquemin, Denis

“…For about 300 solvents, we propose a database of new solvent parameters describing empirically solute/solvent interactions: DI for dispersion and induction, ES…”
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Intriguing Effects of Halogen Substitution on the Photophysical Properties of 2,9-(Bis)halo-Substituted Phenanthrolinecopper(I) Complexes by Brown-Xu, Samantha, Fumanal, Maria, Gourlaouen, Christophe, Gimeno, Lea, Quatela, Alessia, Thobie-Gautier, Christine, Blart, Errol, Planchat, Aurélien, Riobé, François, Monnereau, Cyrille, Chen, Lin X, Daniel, Chantal, Pellegrin, Yann

“…Three new copper­(I) complexes [Cu­(L X )2]+(PF6 –) (where L X stands for 2,9-dihalo-1,10-phenanthroline and X = Cl, Br, and I) have been synthesized in order…”
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Electronic Band Shapes Calculated with Optimally Tuned Range-Separated Hybrid Functionals by Moore, Barry, Charaf-Eddin, Azzam, Planchat, Aurélien, Adamo, Carlo, Autschbach, Jochen, Jacquemin, Denis

“…Using a set of 20 organic molecules, we assess the accuracy of both the absorption and emission band shapes obtained by two optimally tuned range-separated…”
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