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Papers by Christophe Bureau

Research paper thumbnail of C1s CEBEs of Hydrocarbons on Elemental Oxides(1)MO Calculations using CH4 Model Molecules

Journal of Surface Analysis, Jun 1, 1999

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Research paper thumbnail of Accurate Density-Functional Calculation of Core XPS Spectra: Simulating Chemisorption and Intermolecular Effects on Real Systems?

Kluwer Academic Publishers eBooks, Dec 30, 2005

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Research paper thumbnail of Polymerization of <i>N</i>-Vinyl-2-Pyrrolidone under Anodic Polarization: Characterization of the Modified Electrode and Study of the Grafting Mechanism

Langmuir, Sep 1, 1997

The application of single step or multiple anodic potential steps to highly concentrated solution... more The application of single step or multiple anodic potential steps to highly concentrated solutions of N-vinyl-2-pyrrolidone leads to the formation of poly(N-vinyl-2-pyrrolidone) (or PVP) films on platinum electrodes. These films are insoluble in a good solvent of the commercial polymer. Multiple potential steps yield thicker films than a single potential step. Moreover, the PVP film thickness is maximum for a working potential amplitude of 1.7 V. Above this potential, the polymer film deteriorates by oxidation. In situ quartz crystal microbalance measurements show that the formation mechanism of polymer films cannot be attributed to an initiation in solution followed by precipitation of the polymer on the surface but rather to a gradual growth of the polymer on the electrode. This result is confirmed by the analysis of the electrochemical medium by different techniques which does not reveal the presence of polymeric chains in solution but only of dimer molecules. The molecular structure and the origin of ...

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Research paper thumbnail of Accurate Density Functional Calculation of Core XPS Spectra:Towards an Evidencing of Intermolecular Effects at Real Interfaces via XPS?

Journal of Surface Analysis, Jun 1, 1999

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Research paper thumbnail of DFT Modeling of Stark-Tuning Effect: CO on Polarized Pd(100) as a Probe for Double-Layer Electrostatic Effects in Electrochemistry

Kluwer Academic Publishers eBooks, Dec 30, 2005

The lifetime of chemisorbed radical anions produced in the electroreduction of vinylic molecules ... more The lifetime of chemisorbed radical anions produced in the electroreduction of vinylic molecules is thought to play a decisive part in the mechanism accounting for the production of grafted films in electropolymerization reactions. With the ultimate purpose of evaluating these lifetimes, we propose a one-dimensional model taking into account the interface bond, the anion/metallic surface image charge potential, and the anion/polarized-surface electrostatic repulsion. Orders of magnitude are known for the parameters entering in these terms, except for the latter. In the present work, this term is described using the Gouy-Chapmann model for the electrochemical double layer. Comparing our theoretical DFT predictions on Stark-Tuning effect of CO on Pd(l00) with experiment, we can discuss on the legitimacy of a phenomenological linear relationship between the (microscopic) surface electric field and the (macroscopic) electrode potential. The slope of this relationship, termed the electric field rate, in (V.cm−1),V−1, turns out to be numerically equivalent to the characteristic length of the double layer, whatever the underlying model. Our calculated rates, carried out within the Gouy-Chapmann approximation, are in acceptable agreement with previous experimental estimates. First insights into our electropolymerization reactions suggest that the presumed intermediate chemisorbed radical-anions may have a borderline stability, i.e. a largely non negligible lifetime on the surface.

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Research paper thumbnail of Accurate density-functional calculation of core-electron binding energies with a scaled polarized triple-zeta basis set

Journal of Electron Spectroscopy and Related Phenomena, 2000

... To do this, we chose eighteen cases, relying heavily on the compilation of Jolly et al. [25].... more ... To do this, we chose eighteen cases, relying heavily on the compilation of Jolly et al. [25]. ... The results of our calculations are summarized in Table 4. The observed CEBE values for EPFA may be considered as quite reliable, with uncertainties of only 0.03–0.04 eV [38]. ...

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Research paper thumbnail of Mechanisms of Formation and Elementary Properties of Polymer Films Electropolymerized onto Metallic Surface

Springer eBooks, 1997

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Research paper thumbnail of First attempts at an elucidation of the interface structure resulting from the interaction between methacrylonitrile and a platinum anode: an experimental and theoretical (ab initio) study

Surface Science, Jun 1, 1996

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Research paper thumbnail of Use of dynamically adaptive grid techniques for the solution of electrochemical kinetic equations

Journal of Electroanalytical Chemistry, Feb 1, 2000

The patch-adaptive strategy described in Part 5 proves to provide correct, fairly efficient, and ... more The patch-adaptive strategy described in Part 5 proves to provide correct, fairly efficient, and nearly automatic solutions to three representative example electrochemical kinetic models in one-dimensional space geometry, that exhibit difficult-to-resolve moving reaction fronts in the electrolyte, away from the electrode. The models describe: double potential step experiments for a simple mechanism of electrochemically generated luminescence, linear potential sweep voltammetry for an EE-DISP mechanism with Nernstian charge transfers and a reversible homogeneous disproportionation reaction, and linear potential sweep voltammetry for an RRC-initiated electropolymerization reaction scheme. The strategy dynamically creates spatio-temporal grids that adaptively concentrate in the regions of the reaction fronts, without any a priori knowledge about their location. Numerical difficulties, such as electric current oscillations observed with the previously described adaptive moving grid technique in the case of moving reaction fronts, do not occur in the present strategy. However, further work is needed to improve the performance of the strategy in the cases of reaction fronts associated with fast and irreversible second-order homogeneous reactions, for which the computational costs are too large. Improvements are also desirable in the case of the simulation of a rapidly moving reaction front occurring in the electropolymerization model, for which the strategy tends to provide incorrect front positions.

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Research paper thumbnail of Accurate density functional calculation of core electron binding energies

Journal of Electron Spectroscopy and Related Phenomena, Feb 1, 1997

Abstract A recent procedure for computing accurate core electron binding energies (CEBEs) via den... more Abstract A recent procedure for computing accurate core electron binding energies (CEBEs) via density functional theory (DFT) is applied to acetonitrile, propionitrile, 2-cyanopropane, acrylonitrile, methacrylonitrile and the 2-methylglutaronitrile conformer of lowest energy. The first three systems have been studied in the past as model compounds to interpret the XPS spectrum of polyacrylonitrile (PAN) using post-Hartree–Fock finite-difference calculations, in order to solve a controversy in the assignment of chemically shifted atoms in the C 1s region. This assignment is revisited with the unrestricted generalized transition-state model and a combined functional of Becke's 1988 exchange with Perdew's 1986 correlation. Using Dunning's correlation-consistent polarized valence triple zeta basis sets with scaling improvements, we obtain predicted CEBEs for gas-phase acetonitrile, propionitrile and acrylonitrile in remarkable agreement with experiment (average absolute deviation 0.09 eV). The CEBEs of these systems confirm the overall trends of the previous attributions of their respective gas-phase XPS spectrum, except in the case of propionitrile. These results, as well as those on 2-cyanopropane, methacrylonitrile and 2-methylglutaronitrile, bring some additional information on the extrapolation of the results to the assignment of the C 1s contributions of polyacrylonitrile. © 1997 Elsevier Science B.V.

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Research paper thumbnail of Self-Assembled Mono- and Multilayers on Gold from 1,4-Diisocyanobenzene and Ruthenium Phthalocyanine

Journal of Physical Chemistry B, Nov 1, 1999

... Françoise Valin, ‡ Gilbert Zalczer, § and Serge Palacin* †. ... Abstract. Self-assembled mono... more ... Françoise Valin, ‡ Gilbert Zalczer, § and Serge Palacin* †. ... Abstract. Self-assembled monolayers of 1,4-diisocyanobenzene on gold were used to bind ruthenium phthalocyanines to the surface by axial ligation of the macrocycle with isocyanide groups pointing out from the SAM. ...

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Research paper thumbnail of Study of ultrathin polyamide-6,6 films on clean copper and platinum

Journal of vacuum science & technology, Mar 1, 1997

The aim of this work is to present an interaction reactor which allows us to build very thin orga... more The aim of this work is to present an interaction reactor which allows us to build very thin organic coatings on metallic substrates. This reactor is coupled to an analytic device which further enables an investigation of the interfacial region by very-surface-sensitive analytical means. The use of such an integrated installation makes it possible to follow the growth of the interfacial region step by step and to focus on the nature of the chemical structure that is identified in the interfacial region between a well-defined polymer phase and an atomically clean metallic substrate. As an illustration we compare the behavior of PA-6,6 on copper and platinum.

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[Research paper thumbnail of Corrigendum to: “Use of dynamically adaptive grid techniques for the solution of electrochemical kinetic equations. Part 7. Testing of the finite-difference patch-adaptive strategy on example kinetic models with moving reaction fronts, in one-dimensional space geometry” [J. Electroanal. Chem. 481...](https://a.academia-assets.com/images/blank-paper.jpg)

Journal of Electroanalytical Chemistry, Apr 1, 2004

ABSTRACT

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Research paper thumbnail of On the influence of RRC and RSC dimerizations on the shape of semi-integrated voltammograms: a mixed asymptotic and numerical analysis

Electrochimica Acta, May 1, 1999

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Research paper thumbnail of Localized organic grafting on photosensitive semiconductors substrates

Journal of Electroanalytical Chemistry, Oct 1, 2008

This work is devoted to the development of a process which allows, in only one step, the localiza... more This work is devoted to the development of a process which allows, in only one step, the localization of organic coating chemically bonded to initially homogeneous substrates thanks to the coating process itself. Photoconductive properties of silicon are used to fulfil this goal. Light illumination through a mask, that activates the photoconductive properties of the substrate was used to promote the local electrografting of thin organic coatings.

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Research paper thumbnail of Selectivity of organic grafting as a function of the nature of semiconducting substrates

Journal of Electroanalytical Chemistry, 2009

In recent years, the technology of polycrystalline silicon was much developed and has found numer... more In recent years, the technology of polycrystalline silicon was much developed and has found numerous applications in microelectronics in general and in micromachined sensors and microactuators, in particular. In these new electronic devices, various types of substrates are very often mixed. For some applications as bio-chips, actuators, it may be useful to coat selectively designated areas of mixed polycrystalline/single-crystal silicon devices. The present work was undertaken within this point of view. Selective organic coating of designated areas of mixed poly and monocrystalline devices was obtained with a mask-free technique by applying electroless or electro-induced processes.

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Research paper thumbnail of Camouflaging Endovascular Stents with an Endothelial Coat Using CD31 Domain 1-mimetic Peptides

bioRxiv (Cold Spring Harbor Laboratory), May 1, 2023

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Research paper thumbnail of ChemInform Abstract: Local Density Functional Study of Copper Clusters: A Comparison Between Real Clusters, Model Surface Clusters, and the Actual Metal Surface

ChemInform, Jun 16, 2010

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Research paper thumbnail of Electrografting, A Unique Wet Technology for Seed and Direct Plating in Copper Metallization

ECS transactions, Dec 21, 2019

This paper introduces a novel electrochemical technology called electrografting (eG{trade mark, s... more This paper introduces a novel electrochemical technology called electrografting (eG{trade mark, serif}). After describing electrografting the main characteristics, it will be shown that this technology can be successfully applied to the formation of thin, conformal, and uniform seed layers for IC copper interconnects. Seed layer thicknesses down to 10nm thick are deposited on various copper diffusion barrier materials and characterized in terms of sheet resistance, morphology, conformality, adhesion, and gapfilling capability. Initial results pointed out that the technology can be extended to seedless direct filling of interconnect structures.

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Research paper thumbnail of Study of the Interface between Polyacrylonitrile Thin Films and a Nickel Cathode: Ni 3d States Analysed by EXES

Surface and Interface Analysis, May 1, 1996

ABSTRACT The interaction between a nickel substrate and thin polyacrylonitrile films is studied b... more ABSTRACT The interaction between a nickel substrate and thin polyacrylonitrile films is studied by electron-induced x-ray emission spectroscopy (EXES). The analysis of the metal 3d distribution at the interface suggests that a direct interaction takes place between the metallic sites and the monomer molecules when the metal is cathodically polarized. The existence of bonds due to mixing of Ni 3d and C 2p states is shown. In contrast, there is no detectable interaction in the absence of polarization of the metallic surface.

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Research paper thumbnail of C1s CEBEs of Hydrocarbons on Elemental Oxides(1)MO Calculations using CH4 Model Molecules

Journal of Surface Analysis, Jun 1, 1999

Bookmarks Related papers MentionsView impact

Research paper thumbnail of Accurate Density-Functional Calculation of Core XPS Spectra: Simulating Chemisorption and Intermolecular Effects on Real Systems?

Kluwer Academic Publishers eBooks, Dec 30, 2005

Bookmarks Related papers MentionsView impact

Research paper thumbnail of Polymerization of <i>N</i>-Vinyl-2-Pyrrolidone under Anodic Polarization: Characterization of the Modified Electrode and Study of the Grafting Mechanism

Langmuir, Sep 1, 1997

The application of single step or multiple anodic potential steps to highly concentrated solution... more The application of single step or multiple anodic potential steps to highly concentrated solutions of N-vinyl-2-pyrrolidone leads to the formation of poly(N-vinyl-2-pyrrolidone) (or PVP) films on platinum electrodes. These films are insoluble in a good solvent of the commercial polymer. Multiple potential steps yield thicker films than a single potential step. Moreover, the PVP film thickness is maximum for a working potential amplitude of 1.7 V. Above this potential, the polymer film deteriorates by oxidation. In situ quartz crystal microbalance measurements show that the formation mechanism of polymer films cannot be attributed to an initiation in solution followed by precipitation of the polymer on the surface but rather to a gradual growth of the polymer on the electrode. This result is confirmed by the analysis of the electrochemical medium by different techniques which does not reveal the presence of polymeric chains in solution but only of dimer molecules. The molecular structure and the origin of ...

Bookmarks Related papers MentionsView impact

Research paper thumbnail of Accurate Density Functional Calculation of Core XPS Spectra:Towards an Evidencing of Intermolecular Effects at Real Interfaces via XPS?

Journal of Surface Analysis, Jun 1, 1999

Bookmarks Related papers MentionsView impact

Research paper thumbnail of DFT Modeling of Stark-Tuning Effect: CO on Polarized Pd(100) as a Probe for Double-Layer Electrostatic Effects in Electrochemistry

Kluwer Academic Publishers eBooks, Dec 30, 2005

The lifetime of chemisorbed radical anions produced in the electroreduction of vinylic molecules ... more The lifetime of chemisorbed radical anions produced in the electroreduction of vinylic molecules is thought to play a decisive part in the mechanism accounting for the production of grafted films in electropolymerization reactions. With the ultimate purpose of evaluating these lifetimes, we propose a one-dimensional model taking into account the interface bond, the anion/metallic surface image charge potential, and the anion/polarized-surface electrostatic repulsion. Orders of magnitude are known for the parameters entering in these terms, except for the latter. In the present work, this term is described using the Gouy-Chapmann model for the electrochemical double layer. Comparing our theoretical DFT predictions on Stark-Tuning effect of CO on Pd(l00) with experiment, we can discuss on the legitimacy of a phenomenological linear relationship between the (microscopic) surface electric field and the (macroscopic) electrode potential. The slope of this relationship, termed the electric field rate, in (V.cm−1),V−1, turns out to be numerically equivalent to the characteristic length of the double layer, whatever the underlying model. Our calculated rates, carried out within the Gouy-Chapmann approximation, are in acceptable agreement with previous experimental estimates. First insights into our electropolymerization reactions suggest that the presumed intermediate chemisorbed radical-anions may have a borderline stability, i.e. a largely non negligible lifetime on the surface.

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Research paper thumbnail of Accurate density-functional calculation of core-electron binding energies with a scaled polarized triple-zeta basis set

Journal of Electron Spectroscopy and Related Phenomena, 2000

... To do this, we chose eighteen cases, relying heavily on the compilation of Jolly et al. [25].... more ... To do this, we chose eighteen cases, relying heavily on the compilation of Jolly et al. [25]. ... The results of our calculations are summarized in Table 4. The observed CEBE values for EPFA may be considered as quite reliable, with uncertainties of only 0.03–0.04 eV [38]. ...

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Research paper thumbnail of Mechanisms of Formation and Elementary Properties of Polymer Films Electropolymerized onto Metallic Surface

Springer eBooks, 1997

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Research paper thumbnail of First attempts at an elucidation of the interface structure resulting from the interaction between methacrylonitrile and a platinum anode: an experimental and theoretical (ab initio) study

Surface Science, Jun 1, 1996

Bookmarks Related papers MentionsView impact

Research paper thumbnail of Use of dynamically adaptive grid techniques for the solution of electrochemical kinetic equations

Journal of Electroanalytical Chemistry, Feb 1, 2000

The patch-adaptive strategy described in Part 5 proves to provide correct, fairly efficient, and ... more The patch-adaptive strategy described in Part 5 proves to provide correct, fairly efficient, and nearly automatic solutions to three representative example electrochemical kinetic models in one-dimensional space geometry, that exhibit difficult-to-resolve moving reaction fronts in the electrolyte, away from the electrode. The models describe: double potential step experiments for a simple mechanism of electrochemically generated luminescence, linear potential sweep voltammetry for an EE-DISP mechanism with Nernstian charge transfers and a reversible homogeneous disproportionation reaction, and linear potential sweep voltammetry for an RRC-initiated electropolymerization reaction scheme. The strategy dynamically creates spatio-temporal grids that adaptively concentrate in the regions of the reaction fronts, without any a priori knowledge about their location. Numerical difficulties, such as electric current oscillations observed with the previously described adaptive moving grid technique in the case of moving reaction fronts, do not occur in the present strategy. However, further work is needed to improve the performance of the strategy in the cases of reaction fronts associated with fast and irreversible second-order homogeneous reactions, for which the computational costs are too large. Improvements are also desirable in the case of the simulation of a rapidly moving reaction front occurring in the electropolymerization model, for which the strategy tends to provide incorrect front positions.

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Research paper thumbnail of Accurate density functional calculation of core electron binding energies

Journal of Electron Spectroscopy and Related Phenomena, Feb 1, 1997

Abstract A recent procedure for computing accurate core electron binding energies (CEBEs) via den... more Abstract A recent procedure for computing accurate core electron binding energies (CEBEs) via density functional theory (DFT) is applied to acetonitrile, propionitrile, 2-cyanopropane, acrylonitrile, methacrylonitrile and the 2-methylglutaronitrile conformer of lowest energy. The first three systems have been studied in the past as model compounds to interpret the XPS spectrum of polyacrylonitrile (PAN) using post-Hartree–Fock finite-difference calculations, in order to solve a controversy in the assignment of chemically shifted atoms in the C 1s region. This assignment is revisited with the unrestricted generalized transition-state model and a combined functional of Becke's 1988 exchange with Perdew's 1986 correlation. Using Dunning's correlation-consistent polarized valence triple zeta basis sets with scaling improvements, we obtain predicted CEBEs for gas-phase acetonitrile, propionitrile and acrylonitrile in remarkable agreement with experiment (average absolute deviation 0.09 eV). The CEBEs of these systems confirm the overall trends of the previous attributions of their respective gas-phase XPS spectrum, except in the case of propionitrile. These results, as well as those on 2-cyanopropane, methacrylonitrile and 2-methylglutaronitrile, bring some additional information on the extrapolation of the results to the assignment of the C 1s contributions of polyacrylonitrile. © 1997 Elsevier Science B.V.

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Research paper thumbnail of Self-Assembled Mono- and Multilayers on Gold from 1,4-Diisocyanobenzene and Ruthenium Phthalocyanine

Journal of Physical Chemistry B, Nov 1, 1999

... Françoise Valin, ‡ Gilbert Zalczer, § and Serge Palacin* †. ... Abstract. Self-assembled mono... more ... Françoise Valin, ‡ Gilbert Zalczer, § and Serge Palacin* †. ... Abstract. Self-assembled monolayers of 1,4-diisocyanobenzene on gold were used to bind ruthenium phthalocyanines to the surface by axial ligation of the macrocycle with isocyanide groups pointing out from the SAM. ...

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Research paper thumbnail of Study of ultrathin polyamide-6,6 films on clean copper and platinum

Journal of vacuum science & technology, Mar 1, 1997

The aim of this work is to present an interaction reactor which allows us to build very thin orga... more The aim of this work is to present an interaction reactor which allows us to build very thin organic coatings on metallic substrates. This reactor is coupled to an analytic device which further enables an investigation of the interfacial region by very-surface-sensitive analytical means. The use of such an integrated installation makes it possible to follow the growth of the interfacial region step by step and to focus on the nature of the chemical structure that is identified in the interfacial region between a well-defined polymer phase and an atomically clean metallic substrate. As an illustration we compare the behavior of PA-6,6 on copper and platinum.

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[Research paper thumbnail of Corrigendum to: “Use of dynamically adaptive grid techniques for the solution of electrochemical kinetic equations. Part 7. Testing of the finite-difference patch-adaptive strategy on example kinetic models with moving reaction fronts, in one-dimensional space geometry” [J. Electroanal. Chem. 481...](https://a.academia-assets.com/images/blank-paper.jpg)

Journal of Electroanalytical Chemistry, Apr 1, 2004

ABSTRACT

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Research paper thumbnail of On the influence of RRC and RSC dimerizations on the shape of semi-integrated voltammograms: a mixed asymptotic and numerical analysis

Electrochimica Acta, May 1, 1999

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Research paper thumbnail of Localized organic grafting on photosensitive semiconductors substrates

Journal of Electroanalytical Chemistry, Oct 1, 2008

This work is devoted to the development of a process which allows, in only one step, the localiza... more This work is devoted to the development of a process which allows, in only one step, the localization of organic coating chemically bonded to initially homogeneous substrates thanks to the coating process itself. Photoconductive properties of silicon are used to fulfil this goal. Light illumination through a mask, that activates the photoconductive properties of the substrate was used to promote the local electrografting of thin organic coatings.

Bookmarks Related papers MentionsView impact

Research paper thumbnail of Selectivity of organic grafting as a function of the nature of semiconducting substrates

Journal of Electroanalytical Chemistry, 2009

In recent years, the technology of polycrystalline silicon was much developed and has found numer... more In recent years, the technology of polycrystalline silicon was much developed and has found numerous applications in microelectronics in general and in micromachined sensors and microactuators, in particular. In these new electronic devices, various types of substrates are very often mixed. For some applications as bio-chips, actuators, it may be useful to coat selectively designated areas of mixed polycrystalline/single-crystal silicon devices. The present work was undertaken within this point of view. Selective organic coating of designated areas of mixed poly and monocrystalline devices was obtained with a mask-free technique by applying electroless or electro-induced processes.

Bookmarks Related papers MentionsView impact

Research paper thumbnail of Camouflaging Endovascular Stents with an Endothelial Coat Using CD31 Domain 1-mimetic Peptides

bioRxiv (Cold Spring Harbor Laboratory), May 1, 2023

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Research paper thumbnail of ChemInform Abstract: Local Density Functional Study of Copper Clusters: A Comparison Between Real Clusters, Model Surface Clusters, and the Actual Metal Surface

ChemInform, Jun 16, 2010

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Research paper thumbnail of Electrografting, A Unique Wet Technology for Seed and Direct Plating in Copper Metallization

ECS transactions, Dec 21, 2019

This paper introduces a novel electrochemical technology called electrografting (eG{trade mark, s... more This paper introduces a novel electrochemical technology called electrografting (eG{trade mark, serif}). After describing electrografting the main characteristics, it will be shown that this technology can be successfully applied to the formation of thin, conformal, and uniform seed layers for IC copper interconnects. Seed layer thicknesses down to 10nm thick are deposited on various copper diffusion barrier materials and characterized in terms of sheet resistance, morphology, conformality, adhesion, and gapfilling capability. Initial results pointed out that the technology can be extended to seedless direct filling of interconnect structures.

Bookmarks Related papers MentionsView impact

Research paper thumbnail of Study of the Interface between Polyacrylonitrile Thin Films and a Nickel Cathode: Ni 3d States Analysed by EXES

Surface and Interface Analysis, May 1, 1996

ABSTRACT The interaction between a nickel substrate and thin polyacrylonitrile films is studied b... more ABSTRACT The interaction between a nickel substrate and thin polyacrylonitrile films is studied by electron-induced x-ray emission spectroscopy (EXES). The analysis of the metal 3d distribution at the interface suggests that a direct interaction takes place between the metallic sites and the monomer molecules when the metal is cathodically polarized. The existence of bonds due to mixing of Ni 3d and C 2p states is shown. In contrast, there is no detectable interaction in the absence of polarization of the metallic surface.

Bookmarks Related papers MentionsView impact