T.D. Le, L. Zhang, A. Kuhn, N. Mano, G. Vignoles, D. Lasseux

J.Electroanal.Chem. (2019) in press

Multiscale modelling of coupled diffusion and serial reduction reactions in porous micro-electrodes is developed in this work. The governing coupled equations at the pore scale in the case of two reduction reactions, as for instance, the serial reaction pathway for oxygen reduction to hydrogen peroxide and subsequently to water, are upscaled to obtain a macroscopic model describing the process in an effective medium at the electrode scale. This new macroscopic model, obtained from the volume averaging technique, is validated through comparisons with results of 3D Direct Numerical Simulations of the pore-scale model. The excellent agreement between the two approaches proves the relevance of the macroscale model which reduces to a 1D problem in the configuration under concern, providing a drastic speedup in the computation of the solution. Numerical results obtained with the macroscopic model are successfully compared to experimental data obtained by voltammetry with porous gold electrodes of different thicknesses operating the serial pathway of oxygen reduction to water. Results highlight the ability of this new macroscopic model to predict the electrode behavior and show that the second reduction reaction of hydrogen peroxide plays an important role in the current production.

2019 15

Thumbnail J. Kalecki, M. Cieplak, M. Dąbrowski, W. Lisowski, A. Kuhn,  P. Sindhu Sharma ACS Sensors (2019) in press, doi.org/10.1021/acssensors.9b01878 Homogenous nanostructuration of molecularly imprinted...
Thumbnail C. Wattanakit, A. Kuhn Chemistry-A European Journal (2020) 26, 2993-3003 The concept of encoding molecular information in bulk metals has been proposed over the past decade. The structure of various types of...
Thumbnail S. Assavapanumat,  M. Ketkaew,  A. Kuhn, C.Wattanakit J. Am.Chem.Soc. 141 (2019) 18870(Front Cover) see also CNRS press release The enantioselective synthesis of chiral compounds is of crucial...
Thumbnail A. Bouchet-Spinelli, E. Descamps, J. Liu, A. Ismail, P. Pham, F. Chatelain, T. Leïchlé, L. Leroy, P. N. Marche, C. Raillon, A. Roget, Y. Roupioz, N. Sojic, A. Buhot, V. Haguet, T. Livache and P....
Thumbnail T.D. Le, L. Zhang, A. Kuhn, N. Mano, G. Vignoles, D. Lasseux J.Electroanal.Chem. (2019) in press Multiscale modelling of coupled diffusion and serial reduction reactions in porous micro-electrodes is...
Thumbnail S. Assavapanumat, M. Ketkaew, P. Garrigue, V Lapeyre, S Reculusa, C Wattanakit, A Kuhn ChemCatChem 11 (2019) 5951(Front Cover) Cover Profile Electrochemical water splitting is a crucially...
Thumbnail S. Assavapanumat, B. Gupta, G. Salinas, B. Goudeau, C. Wattanakit, A. Kuhn ChemComm 55 (2019) 10956 We report the synthesis of a hybrid bilayer, being composed of a free-standing conducting polymer...
Thumbnail A. Kuhn ChemPhysChem (2019) in press, DOI: 10.1002/cphc.201900932  Physical Chemistry is positioned at the interface of chemistry and physics and can be considered as a key player in modern science....
Thumbnail A. Dauphin, A. Akchach, S. Voci, A. Kuhn, G. Xu, L. BouffierN. Sojic J. Phys. Chem. Lett. 2019, 10, 318-5324 There is a very rapid development of original systems that can be remotely...
Thumbnail Y. Zhao, J. Yu, G. Xu, N. Sojic, G. Loget J. Am. Chem. Soc. 2019, 141, 13013−13016 We introduce the photo-induced electrochemiluminescence (P-ECL) of the model ECL system involving the...
Thumbnail L. Zhang, C. Carucci, S. Reculusa, B. Goudeau, P. Lefrançois, S. Gounel, N. Mano, A. Kuhn Chem Electro Chem2019,6, 4980-4984 (Cover). The immobilization of bilirubin oxidase (BOD) on macroporous gold...
Thumbnail A. Perro, L. Giraud, N. Coudon, S. Shanmugathasan, B. Goudeau, J.-P. Douliez and V. Ravaine Journal of Colloid and Interface Science2019 548, 275-283. Coacervation is a phase separation process...
Thumbnail M.-C. Tatry, E. Laurichesse, A. Perro, V. Ravaine and V. Schmitt Journal of Colloid and Interface Science2019, 548, 1-11. The aim of the paper is to examine the adsorption kinetics of soft...
Thumbnail S. Ramalingam, G. Le Bourdon, E. Pouget, A. Scalabre, J. Raghava Rao and A. Perro J. Phys. Chem B2019, 123 (7), 1708-1717. The design of nanocarriers containing hydrophobic and hydrophilic...
Thumbnail H. Labie, A. Perro, V. Lapeyre, B. Goudeau, B. Catargi, R. Auzély, V. Ravaine  Journal of Colloid and Interface Science 2019, 535, 16-27. A simple route to deliver on demand hydrosoluble molecules...
Thumbnail K. Vindas, L. Leroy, P. Garrigue, S. Voci, T. Livache, S. Arbault, N. Sojic, A. Buhot, E. Engel Anal. Bioanal. Chem., 2019. Remote detection by surface plasmon resonance (SPR) is demonstrated...
Thumbnail F. Zinna, S. Voci, L. Arrico, E. Brun, A. Homberg, L. Bouffier, T. Funaioli, J. Lacour, N. Sojic, L. Di Bari Angew. Chem. Int. Ed.,2019. The first observation of circular polarization of...
Thumbnail K. Mathwig, N. Sojic Journal of Analysis and Testing,2019, accepted. In ion-annihilation electrochemiluminescence (ECL), luminophore ions are generated by oxidation as well as reduction at electrodes...
Thumbnail J. Zhang, S. Arbault, N. Sojic, D. Jiang Annu. Rev. Anal. Chem. 2019. 12. Electrochemiluminescence (ECL) is a widely used analytical technique with the advantages of high sensitivity and low...
Thumbnail B. Gupta, M. C. Afonso, L. Zhang, C. Ayela, P. Garrigue, B. Goudeau, A. Kuhn ChemPhysChem 7 (2019) 941 (Cover) Combining the actuation of conducting polymers with additional functionalities is an...
Thumbnail M. Dąbrowski, A. Ziminska, J. Kalecki, M. Cieplak, W. Lisowski, R. Maksym, S. Shao, F. D’Souza, A. Kuhn, P. S. Sharma ACS Applied Materials and Interfaces 11 (2019) 9265 We present an improved...
Thumbnail I. Malytska, Th. Doneux, M. Bougouma, A. Kuhn, L. Bouffier. J. Phys. Chem. C, 2019, in press Doping of a transition-metal dichalcogenide deposited onto a conducting surface acting as bipolar...