CNRS Laboratory of Interfaces, Processing, Organization and System Dynamics

Paris, France

CNRS Laboratory of Interfaces, Processing, Organization and System Dynamics

Paris, France

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Santos L.,CNRS Laboratory of Interfaces, Processing, Organization and System Dynamics | Santos L.,University of Lisbon | Ghilane J.,CNRS Laboratory of Interfaces, Processing, Organization and System Dynamics | Martin P.,CNRS Laboratory of Interfaces, Processing, Organization and System Dynamics | And 3 more authors.
Journal of the American Chemical Society | Year: 2010

Electrochemical grafting of a water-insoluble diazonium salt in aqueous media onto an electrode surface was achieved by host-guest complexation. 1-(2-Bisthienyl)-4-aminobenzene (BTAB) was solubilized in a water/β- cyclodextrin solution (β-CD). The corresponding diazonium salt was generated in situ then electroreduced. This process leads to the attachment of bithiophene or short oligothiophene groups to the electrode surface. The modified surfaces were analyzed by cyclic voltammetry (CV), scanning electrochemical microscopy (SECM), X-ray photoelectron spectroscopy (XPS), infrared reflection absorption spectroscopy (IRRAS), and atomic force microscopy (AFM). The electrochemical investigations show that the waterbased modified surface is similar to one generated in acetonitrile without β-CD. Thus, the attached organic layer behaves like an electrochemical switch (above some threshold potential, a soluble external probe is oxidized, but the oxidized form cannot be reduced). The modified surfaces consist of grafted bisthienylbenzene (BTB) and cyclodextrins that can be removed from the surface. This procedure may be considered as a new means of creating a surface made of submicrometric holes in an organic semiconducting layer. © 2010 American Chemical Society.


Le Bahers T.,École Nationale Supérieure de Chimie de Paris | Labat F.,École Nationale Supérieure de Chimie de Paris | Pauporte T.,École Nationale Supérieure de Chimie de Paris | Laine P.P.,CNRS Laboratory of Interfaces, Processing, Organization and System Dynamics | Ciofini I.,École Nationale Supérieure de Chimie de Paris
Journal of the American Chemical Society | Year: 2011

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 the design of dye-sensitized solar cell (DSSC) devices including dyes and electrolyte additives. This computational tool is tested with a fused polycyclic pyridinium derivative as a novel dye prototype. First, the UV-vis spectrum of this dye alone is computed, and then the electronic structure of the system with the dye adsorbed on an oxide semiconductor surface is evaluated. The influence of the electrolyte part of the DSSC is investigated by explicitly taking into account the electrolyte molecules co-adsorbed with the dye on the surface. We find that tert-butylpyridine (TBP) reduces the electron injection by a factor of 2, while lithium ion increases this injection by a factor of 2.4. Our stepwise protocol is successfully validated by experimental measurements, which establish that TBP divides the electronic injection by 1.6 whereas Li + multiplies this injection by 1.8. This procedure should be useful for molecular engineering in the field of DSSCs, not only as a complement to experimental approaches but also for improving them in terms of time and resource consumption. © 2011 American Chemical Society.


Perrier A.,CNRS Laboratory of Interfaces, Processing, Organization and System Dynamics | Maurel F.,CNRS Laboratory of Interfaces, Processing, Organization and System Dynamics | Ciofini I.,École Nationale Supérieure de Chimie de Paris | Jacquemin D.,University of Nantes | Jacquemin D.,University of Namur
Chemical Physics Letters | Year: 2011

This Letter is a theoretical investigation of the ground and excited-state properties of diarylethenes coupled through a platinum-containing bridge. Our simulations are performed using (Time-Dependent) Density Functional Theory in conjunction with the Polarisable Continuum Model and aim at characterising the coupling between the two photochromes. It turns out that theory provides results in very good agreement with experiment for the IR, NMR and UV/Vis spectroscopies. The states and orbitals involved in the relevant UV transitions are analysed, allowing to obtain insights regarding the successive electro-cyclisations, the second probably using a triplet pathway. © 2010 Elsevier B.V. All rights reserved.


Perrier A.,CNRS Laboratory of Interfaces, Processing, Organization and System Dynamics | Maurel F.,CNRS Laboratory of Interfaces, Processing, Organization and System Dynamics | Jacquemin D.,University of Nantes
Journal of Physical Chemistry C | Year: 2011

The structures and electronic features of five complex multiphotochromic molecules incorporating two or three diarylethene units are investigated with quantum mechanical approaches. Four out of the five systems only display partial photochromism, and it is shown that the interplay between steric and electronic effects might explain this outcome. For a spiro-bonded system (I), the doubly closed isomer is reachable because the two photochromes are essentially independent and undergo no specific geometric stress. For a tetrathiafilvalene- bridged derivative (II), there is no steric hindrance, but promoting the electron toward the reactive orbital is not possible. In dimers sharing a central thiophene ring (III and IV), the absence of the closed-closed derivative can be understood by either the compactness of the molecule or by a combination of conformational and electronic (lack of photochromic orbital) factors. Eventually, the reactivity of the trimer, V, is related to the variations of the distances between reactive carbon atoms. This contribution therefore paves the way toward an atomic-scale description of elaborated coupled switches and gives hints for the design of more efficient multiaddressable structures, by proposing a new architecture. © 2011 American Chemical Society.


Zheng R.,Lanzhou University | Shi Y.,Lanzhou University | Jia Z.,Lanzhou University | Zhao C.,Lanzhou University | And 4 more authors.
Chemical Society Reviews | Year: 2010

This tutorial review highlights the mechanism of a novel non-enzymatic fast repair of DNA damage, which refers exclusively to repair DNA radicals including DNA-OH adducts, DNA radical cations and anions by various endogenous, natural and synthetic compounds. The repair rate constants are as high as 109 M-1 s-1. In cells, when the enzymatic repair system was inhibited or before the enzymatic repair mechanism was initiated, DNA oxidative damage was significantly reduced by natural polyphenols. This decrease of DNA damage is assigned to the fast repair. Fast repair takes place through an electron transfer process, and docking of polyphenol into the DNA minor groove could be the essential step. © 2010 The Royal Society of Chemistry.


Takeuchi I.,Japan National Institute of Advanced Industrial Science and Technology | Asaka K.,Japan National Institute of Advanced Industrial Science and Technology | Kiyohara K.,Japan National Institute of Advanced Industrial Science and Technology | Sugino T.,Japan National Institute of Advanced Industrial Science and Technology | And 2 more authors.
Journal of Physical Chemistry C | Year: 2010

In this paper, bucky-gel electrodes containing various ionic liquid species were prepared by casting, using "bucky gel", a gelatinous room-temperature ionic liquid (IL) containing single-walled carbon nanotubes (SWCNT). Their electrochemical impedance responses were measured and analyzed. Also, the electromechanical responses of the actuators composed of two bucky-gel electrodes sandwiching an ionic liquid gel layer were studied by measuring the displacement due to an applied sinusoidal voltage at various frequencies. All impedance data were successfully simulated by the equivalent circuit model of a porous electrode based on the transmission line circuit model. By using the same parameter values of the porous electrode model, the frequency dependence of the strain generated in the bucky-gel actuators can be simulated. On the basis of the experimental and simulation results, the electromechanical responses of the bucky-gel actuator were analyzed by taking into account the electrochemical properties of the bucky-gel electrode. Accordingly, an electromechanical model for a bucky-gel actuator was obtained. © 2010 American Chemical Society.


Fihey A.,CNRS Laboratory of Interfaces, Processing, Organization and System Dynamics | Maurel F.,CNRS Laboratory of Interfaces, Processing, Organization and System Dynamics | Perrier A.,CNRS Laboratory of Interfaces, Processing, Organization and System Dynamics
Journal of Physical Chemistry C | Year: 2014

Using ab initio spectroscopic tools, we have studied the structural and electronic properties of a pyrene chromophore grafted onto a Au25 nanocluster synthesized by Devadas and co-workers [J. Phys. Chem. Lett. 2010, 1, 1497]. To simulate the electronic absorption spectra of this hybrid metallic/organic structure, we relied on a three-step approach: (1) Molecular Dynamics simulations based on Force Field Classical Mechanics, (2) geometry optimizations at the ZORA-BP86/TZP level, and (3) TD-DFT calculations with the CAM-B3LYP functional. This procedure allowed us to reproduce and rationalize the experimental observations. Because of small spatial overlap and energy matching between the organic and metallic frontier orbitals, the absorption spectrum of the hybrid system is a simple addition of the pyrene and nanocluster optical spectra. To tune the optical properties of the organic moiety and enable the electronic communication within the hybrid system, a modification of the pyrene skeleton is proposed. This study thus paves the way toward the simulation of UV-visible absorption spectra of hybrid metallic-organic systems. © 2014 American Chemical Society.


Stockhausen V.,CNRS Laboratory of Interfaces, Processing, Organization and System Dynamics | Martin P.,CNRS Laboratory of Interfaces, Processing, Organization and System Dynamics | Ghilane J.,CNRS Laboratory of Interfaces, Processing, Organization and System Dynamics | Leroux Y.,CNRS Laboratory of Interfaces, Processing, Organization and System Dynamics | And 4 more authors.
Journal of the American Chemical Society | Year: 2010

Herein, we report the variation of localized surface plasmon resonance (LSPR) of gold nanoparticle (NP) arrays covered by poly(3,4- ethylenedioxythiophene) (PEDOT) as a function of the electronic state of the polymer. Giant shifts and fine-tuning of the LSPR of gold NPs surrounded by PEDOT/sodium docecyl sulfate have been achieved. The color variations of plasmonic/conducting polymer (CP) devices are given not only by changes of the optical properties of the CP upon doping but also by a close synergy of the optical properties of CP and NP. Such systems can considerably extend the field of CP-based electrochromic devices. © 2010 American Chemical Society.


March G.,CNRS Laboratory of Interfaces, Processing, Organization and System Dynamics | Reisberg S.,CNRS Laboratory of Interfaces, Processing, Organization and System Dynamics | Piro B.,CNRS Laboratory of Interfaces, Processing, Organization and System Dynamics | Pham M.-C.,CNRS Laboratory of Interfaces, Processing, Organization and System Dynamics | And 2 more authors.
Analytical Chemistry | Year: 2010

Electroactive 2-(phenylsulfanyl)-8-hydroxy-1,4-naphthoquinone has been electrodeposited via the reduction of the corresponding diazonium salt on Au electrodes. Surface characterizations by X-ray photoelectron spectroscopy (XPS) and infrared reflection-absorption spectroscopy (IRRAS) reveal that the mechanism of film deposition follows an aryl radical formation and its immobilization on the electrode surface. Electrochemical study shows that the surface coverage can be finely tuned (thickness between one and four layers) by adjusting the potential and the deposition time. By managing the potential applied when reducing diazonium in potentiostatic mode, the formed layer could mediate or not charge transfer. This is the first time that the films obtained by diazonium process are demonstrated to act as mediators in the growth process. Hence, with potentials higher than the formal potential of quinone group, very thin and homogeneous layers are obtained, whereas thicker films are formed when more cathodic potentials than that of quinone are applied. The possibility to manage the charge-transfer kinetics, the thickness, and the homogeneity of electroactive deposits is interesting in the scope of designing electrochemical transducers. © 2010 American Chemical Society.


Ghilane J.,CNRS Laboratory of Interfaces, Processing, Organization and System Dynamics | Martin P.,CNRS Laboratory of Interfaces, Processing, Organization and System Dynamics | Randriamahazaka H.,CNRS Laboratory of Interfaces, Processing, Organization and System Dynamics | Lacroix J.-C.,CNRS Laboratory of Interfaces, Processing, Organization and System Dynamics
Electrochemistry Communications | Year: 2010

Electrochemical oxidation of primary amine in ionic liquid media has been investigated. The ionic liquid chosen for this study was 1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide. Two primary amine compounds are used for this study; 4-nitrobenzylamine and 2-aminoethylferrocenylmethylether. The oxidation of the amino compounds in ionic liquid conduces to the modification of the electrode surface. The modified electrodes were characterized by cyclic voltammetry and XPS analysis. Both techniques support the presence of an organic layer strongly attached onto the electrode surface. The surface concentration of the attached group obtained in this media was found to be around 1 to 3 × 10-10 mol cm-2. The use of ionic liquid as media for the grafting leads to decrease of the surface concentration of the grafted layer; and the formation of less dense layer compared with classical solvent such as acetonitrile. © 2009 Elsevier B.V. All rights reserved.

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