People

Alain Esteve

Alain Esteve

Research team

NEO : Nano-Engineering and integration of metal-Oxide-based nanostructures and their interfaces

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Latest publications

2025

Journal articles

Vidushi Singh, Tao Wu, Ludovic Salvagnac, Alain Estève, Carole Rossi. Ignition and Combustion Characteristics of Al/TiB 2 -Based Nanothermites: Effect of Bifuel Distribution. ACS Applied Nano Materials, 2025, ⟨10.1021/acsanm.3c05578⟩. ⟨hal-04439528⟩

2024

Journal articles

Hicham Jabraoui, Mehdi Djafari Rouhani, Carole Rossi, Alain Esteve. Towards H2 production from water and ethanol interactions on hydrated TiO2(101): Insights from ReaxFF molecular dynamics. Applied Surface Science, 2024, 656, pp.159692. ⟨10.1016/j.apsusc.2024.159692⟩. ⟨hal-04470882⟩

Aurélien Benoit, Christophe Escriba, David Gauchard, Alain Estève, Carole Rossi. Analyzing and Comparing Deep Learning models on a ARM 32 bits microcontroller for pre-impact fall detection. IEEE Sensors Journal, In press, ⟨10.1109/JSEN.2024.3364249⟩. ⟨hal-04462710⟩

2023

Journal articles

Emilian Tichtchenko, Benoît Bédat, Olivier Simonin, Ludovic Glavier, David Gauchard, et al.. Comprehending the influence of the particle size and stoichiometry on Al/CuO thermite combustion in close bomb: a theoretical study. Propellants, Explosives, Pyrotechnics, 2023, 48 (7), pp.e202200334. ⟨10.1002/prep.202200334⟩. ⟨hal-04099158⟩

Hicham Jabraoui, Alain Estève, Sungwook Hong, Carole Rossi. Initial stage of titanium oxidation in Ti/CuO thermites: a molecular dynamics study using ReaxFF forcefields. Physical Chemistry Chemical Physics, 2023, 25 (16), pp.11268-11277. ⟨10.1039/D3CP00032J⟩. ⟨hal-04070041⟩

Vidushi Singh, Tao Wu, Erik Hagen, Ludovic Salvagnac, Christophe Tenailleau, et al.. How positioning of a hard ceramic TiB2 layer in Al/CuO multilayers can regulate the overall energy release behavior. Fuel, 2023, 349, pp.128599. ⟨10.1016/j.fuel.2023.128599⟩. ⟨hal-04099141⟩

Tao Wu, Vidushi Singh, Baptiste Julien, Christophe Tenailleau, Alain Estève, et al.. Pioneering insights into the superior performance of titanium as a fuel in energetic materials. Chemical Engineering Journal, 2023, 453 (part 2), pp.139922. ⟨10.1016/j.cej.2022.139922⟩. ⟨hal-03837899⟩

Conference papers

Alain Estève, Carole Rossi. Current challenges and perspectives in modelling the multiphase thermite reactions. Advances in Reactive Materials Engineering, Material Research Society, Nov 2023, Boston (MA), United States. ⟨hal-04104069⟩

Tao Wu, Vidushi Singh, Alain Estève, Carole Rossi. In-detail elaborating the way of titanium in thermite reactions. 11th European Combustion Meeting 2023, CORIA; French Section of the Combustion Institute, Apr 2023, Rouen, France. ⟨hal-04169730⟩

Tao Wu, Vidushi Singh, Alain Estève, Carole Rossi. In-detail elaborating the way of titanium in thermite reactions. 2023 MRS Fall Meeting & Exhibit, Materials Research Society, Nov 2023, Boston (MA), United States. ⟨hal-04164838⟩

Tao Wu, Maria-Isabel Mendoza-Diaz, Alain Estève, Carole Rossi. Developing a high-energetic and fast-response ignitor by integrating reactive inks on semiconductor bridges. 2023 MRS Fall Meeting & Exhibit, Materials Research Society, Nov 2023, Boston (MA), United States. ⟨hal-04182171⟩

Florent Sevely, Sandrine Assié-Souleille, Ludovic Salvagnac, Alain Estève, Carole Rossi. Nanothermite based anti-tamping technology. Advances in Reactive Materials Engineering, Material Research Society, Nov 2023, Boston (MA), United States. ⟨hal-04121194⟩

Emilian Tichtchenko, Pillemont Léa, Benoît Bédat, Olivier Simonin, Ludovic Glavier, et al.. Toward a computational tool to simulate for the flame propagation in thermites powders. Europyro 2023, Af3P (Association Française de Pyrotechnie); GTPS (Groupe de Travail de Pyrotechnie), Sep 2023, Saint Malo, France. ⟨hal-03922512⟩

Reports

Lea Pillemont, Alain Estève, Olivier Simonin, Benoît Bédat, Carole Rossi. Modèle CFD pour la combustion d'aluminothermites. CNRS. 2023. ⟨hal-04245310v2⟩

2022

Journal articles

Florent Sevely, Tao Wu, Felipe Sodre Ferreira de Sousa, Lionel Séguier, Vincent Brossa, et al.. Developing a highly responsive miniaturized security device based on a printed copper ammine energetic composite. Sensors and Actuators A: Physical , 2022, 346, pp.113838. ⟨10.1016/j.sna.2022.113838⟩. ⟨hal-03762238⟩

Hicham Jabraoui, Mehdi Djafari Rouhani, Carole Rossi, Alain Estève. First-principles investigation of CuO decomposition and its transformation into Cu 2 O. Physical Review Materials, 2022, 6 (9), pp.096001. ⟨10.1103/PhysRevMaterials.6.096001⟩. ⟨hal-03796786⟩

Hicham Jabraoui, Alain Esteve, Mirko Schoenitz, Edward L Dreizin, Carole Rossi. Atomic scale insights into the first reaction stages prior to Al/CuO nanothermite ignition: influence of porosity. ACS Applied Materials & Interfaces, 2022, 14 (25), pp.29451-29461. ⟨10.1021/acsami.2c07069⟩. ⟨hal-03695605⟩

Kolade Augustine Oyekan, Maarten van de Put, Sabyasachi Tiwari, Carole Rossi, Alain Estève, et al.. Re-examining the role of subsurface oxygen vacancies in the dissociation of H2O molecules on anatase TiO2. Applied Surface Science, 2022, 594, pp.153452. ⟨10.1016/j.apsusc.2022.153452⟩. ⟨hal-03686630⟩

Maria-Isabel Mendoza-Diaz, Aurélie Lecestre, Ludovic Salvagnac, Botayna Bounor, David Pech, et al.. High surface area TiO2 photocatalyst for H2 production through silicon micromachining. Applied Surface Science, 2022, 588, pp.152919. ⟨10.1016/j.apsusc.2022.152919⟩. ⟨hal-03610304⟩

Tao Wu, Baptiste Julien, Haiyang Wang, Sylvain Pelloquin, Alain Estève, et al.. Engineered porosity-induced burn rate enhancement in dense Al/CuO nanothermites. ACS Applied Energy Materials, 2022, ⟨10.1021/acsaem.1c03805⟩. ⟨hal-03584996⟩

Maria-Isabel Mendoza-Diaz, Andrea Balocchi, Kolade Oyekan, Kui Tan, William Vandenberghe, et al.. Dominant role of OH − and Ti 3+ defects on the electronic structure of TiO 2 thin films for water splitting. Dalton Transactions, 2022, 40 (51), pp.15300-15311. ⟨10.1039/D2DT01871C⟩. ⟨hal-03748775⟩

Yasser Sami, Nicolas Richard, David Gauchard, Alain Estève, Carole Rossi. Selecting Machine Learning Models to Support the Design of Al/CuO Nanothermites. Journal of Physical Chemistry A, 2022, 126 (7), pp.1245-1254. ⟨10.1021/acs.jpca.1c09520⟩. ⟨hal-03574270⟩

Emelian Tichtchenko, V. Folliet, Olivier Simonin, Benoît Bédat, L. Glavier, et al.. Combustion model for thermite materials integrating explicit and coupled treatment of condensed and gas phase kinetics. Proceedings of the Combustion Institute, In press, ⟨10.1016/j.proci.2022.08.117⟩. ⟨hal-03847387⟩

Conference papers

Ludovic Salvagnac, Mehdi Djafari-Rouhani, Cassandre Lamboux, Mikhael Bechelany, Alain Estève, et al.. Tuning of H2 production by surface enlargement of TiO2 based photocatalysts decorated with Au and Pd nanoparticles. Workshop national RAFALD 2022, Nov 2022, Caen, France. ⟨hal-03796769⟩

Reports

Yasser Sami, Elliott Pollice, Emilian Tichtchenko, Matthieu Jonckheere, Nicolas Richard, et al.. Exploration des techniques d'intelligence artificielle pour calibrer les modèles physiques. LAAS - CNRS. 2022. ⟨hal-03908969⟩

2021

Journal articles

Sarah Brotman, Mehdi Djafari Rouhani, Samuel Charlot, Alain Estève, Carole Rossi. A Benchmark Study of Burning Rate of Selected Thermites through an Original Gasless Theoretical Model. Applied Sciences, 2021, 11 (14), pp.6553. ⟨10.3390/app11146553⟩. ⟨hal-03291839⟩

Tao Wu, Guillaume Lahiner, Christophe Tenailleau, Benjamin Reig, Teresa Hungría, et al.. Unexpected Enhanced Reactivity of Aluminized Nanothermites by Accelerated Aging. Chemical Engineering Journal, 2021, 418, pp.129432. ⟨10.1016/j.cej.2021.129432⟩. ⟨hal-03175736⟩

Tao Wu, Florent Sevely, Sylvain Pelloquin, Sandrine Assié-Souleille, Alain Estève, et al.. Enhanced reactivity of copper complex-based reactive materials via mechanical milling. Combustion and Flame, 2021, 233, pp.111598. ⟨10.1016/j.combustflame.2021.111598⟩. ⟨hal-03312787⟩

Emelian Tichtchenko, Alain Estève, Carole Rossi. Modeling the self-propagation reaction in heterogeneous and dense media: Application to Al/CuO thermite. Combustion and Flame, 2021, 228, pp.173-183. ⟨10.1016/j.combustflame.2021.01.040⟩. ⟨hal-03139669⟩

Ankita Jadon, Carole Rossi, Mehdi Djafari-Rouhani, Alain Estève, David Pech. Interaction of hydrogen with the bulk, surface and subsurface of crystalline RuO2 from first principles. Physics Open, 2021, 7, pp.100059. ⟨10.1016/j.physo.2021.100059⟩. ⟨hal-03165104⟩

Baptiste Julien, Pascal Dubreuil, Claudie Josse, Ludovic Salvagnac, Sylvain Pelloquin, et al.. Effect of Substrate–Induced Localized Stress on the Combustion Properties of Al/CuO Reactive Multilayer Films. Thin Solid Films, 2021, 740, pp.139000. ⟨10.1016/j.tsf.2021.139000⟩. ⟨hal-03431059⟩

Baptiste Julien, Haiyang Wang, Emilian Tichtchenko, Sylvain Pelloquin, Alain Estève, et al.. Elucidating the dominant mechanisms in burn rate increase of thermite nanolaminates incorporating nanoparticle inclusions. Nanotechnology, 2021, 32 (21), pp.215401. ⟨10.1088/1361-6528/abe6c8⟩. ⟨hal-03174367⟩

Mehnaz Mursalat, Ci Huang, Baptiste Julien, Mirko Schoenitz, Alain Estève, et al.. Low-Temperature Exothermic Reactions in Al/CuO Nanothermites Producing Copper Nanodots and Accelerating Combustion. ACS Applied Nano Materials, 2021, 4 (4), pp.3811-3820. ⟨10.1021/acsanm.1c00236⟩. ⟨hal-03179381⟩

Book sections

Alain Estève, Carole Rossi. DNA nano-engineering and DNA driven nanoparticle assembly. Biological Soft Matter Fundamentals, Properties and Applications. Corinne Nardin (Editor), Helmut Schlaad (Editor), Wiley, 2021, 978-3-527-34348-5. ⟨hal-03173221⟩

Conference papers

Maria-Isabel Mendoza-Diaz, Andrea Balocchi, Sandrine Assié-Souleille, Carole Rossi, Alain Estève. Insights into the Basic Mechanisms at Solvent/TiO2/Au Interfaces Associated to Hydrogen Production By Photoreduction of Water. 2021 AIChE Annual Meeting, Nov 2021, Boston, United States. ⟨hal-03181047⟩

2020

Journal articles

Baptiste Julien, Jérémy Cure, Ludovic Salvagnac, Claudie Josse, Alain Estève, et al.. Integration of Gold Nanoparticles to Modulate the Ignitability of Nanothermite Films. ACS Applied Nano Materials, 2020, 3 (3), pp.2562-2572. ⟨10.1021/acsanm.9b02619⟩. ⟨hal-02490682⟩

Alain Estève, Guillaume Lahiner, Baptiste Julien, Séverine Vivies, Nicolas Richard, et al.. How Thermal Aging Affects Ignition and Combustion Properties of Reactive Al/CuO Nanolaminates: A Joint Theoretical/Experimental Study. Nanomaterials, 2020, 10 (10), pp.2087. ⟨10.3390/nano10102087⟩. ⟨hal-02977467⟩

Jérémy Cure, Kévin Cocq, Andréa Nicollet, Kui Tan, Teresa Hungría, et al.. A Beehive Inspired Hydrogen Photocatalytic Device Integrating a Carbo- benzene Triptych Material for Efficient Solar Photo-reduction of Seawater. Advanced Sustainable Systems, 2020, 4 (9), pp.2000121. ⟨10.1002/adsu.202000121⟩. ⟨hal-02895513⟩

Sai Gourang Patnaik, Ankita Jadon, Chau Cam Hoang Tran, Alain Estève, Daniel Guay, et al.. High Areal capacity porous Sn-Au Alloys with Long cycle Life for Li- ion Microbatteries. Scientific Reports, 2020, 10 (10405), ⟨10.1038/s41598-020-67309-7⟩. ⟨hal-02882289⟩

Maria-Isabel Mendoza-Diaz, Jérémy Cure, Mehdi Djafari Rouhani, Kui Tan, Sai-Gourang Patnaik, et al.. On the UV-Visible Light Synergetic Mechanisms in Hybrid Au/TiO2 Model- Nanostructures Achieving Photo-Reduction of Water. Journal of Physical Chemistry C, 2020, 124 (46), pp.25421-25430. ⟨10.1021/acs.jpcc.0c08381⟩. ⟨hal-03005988⟩

Tao Wu, Florent Sevely, Baptiste Julien, Felipe Augusto Sodré Ferreira de Sousa, Alain Estève, et al.. New coordination complexes-based gas-generating energetic composites. Combustion and Flame, 2020, 219, pp.478-487. ⟨10.1016/j.combustflame.2020.05.022⟩. ⟨hal-03747609⟩

Tao Wu, Florent Sevely, Baptiste Julien, Felipe Augusto Sodré Ferreira de Sousa, Jérémy Cure, et al.. New coordination complexes-based gas-generating energetic composites. Combustion and Flame, 2020, 219, pp.478-487. ⟨10.1016/j.combustflame.2020.05.022⟩. ⟨hal-02895505⟩

Ankita Jadon, Sagar Prabhudev, Gaëtan Buvat, Sai Gourang Patnaik, Mehdi Djafari-Rouhani, et al.. Rethinking Pseudocapacitance: A Way to Harness Charge Storage of Crystalline RuO2. ACS Applied Energy Materials, 2020, 3 (5), pp.4144-4148. ⟨10.1021/acsaem.0c00476⟩. ⟨hal-02600888⟩

Patents

Jérémy Cure, Kévin Cocq, Sandrine Assié-Souleille, Alain Estève, Carole Rossi. Nanomatériau hybride multicouches à base d'un semi-conducteur, procédé de préparation et applications pour la photo-catalyse. France, N° de brevet: FR2004208. Rapport LAAS n° 20297. 2020. ⟨hal-03004794⟩

2019

Journal articles

James Zapata, Andréa Nicollet, Baptiste Julien, Guillaume Lahiner, Alain Estève, et al.. Self-propagating combustion of sputter-deposited Al/CuO nanolaminates. Combustion and Flame, 2019, 205, pp.389-396. ⟨10.1016/j.combustflame.2019.04.031⟩. ⟨hal-02127351⟩

Jérémy Cure, Kévin Cocq, Adnen Mlayah, Teresa Hungría, Pierre Alphonse, et al.. A Triptych Photocatalyst Based on the Co-Integration of Ag Nanoparticles and Carbo-Benzene Dye into a TiO 2 Thin Film. International Journal of Hydrogen Energy, 2019, 44 (48), pp.26347-26360. ⟨10.1016/j.ijhydene.2019.08.126⟩. ⟨hal-02291245⟩

David Munoz-Rojas, T. Maindron, A. Esteve, F. Piallat, J.C.S. Kools, et al.. Speeding up the unique assets of atomic layer deposition. Materials Today Chemistry, 2019, 12, pp.96-120. ⟨10.1016/j.mtchem.2018.11.013⟩. ⟨hal-02012583⟩

Sarah Brotman, Mehdi Djafari Rouhani, Carole Rossi, Alain Estève. A condensed phase model of the initial Al/CuO reaction stage to interpret experimental findings. Journal of Applied Physics, 2019, 125 (3), pp.035102. ⟨10.1063/1.5063285⟩. ⟨hal-02348944⟩

Ségolène Palussière, Jérémy Cure, Andréa Nicollet, Pierre Fau, Katia Fajerwerg, et al.. The role of alkylamine in the stabilization of CuO nanoparticles as a determinant of the Al/CuO redox reaction. Physical Chemistry Chemical Physics, 2019, 21 (29), pp.16180-16189. ⟨10.1039/C9CP02220A⟩. ⟨hal-02182344⟩

Guillaume Lahiner, James Zapata, Jérémy Cure, Nicolas Richard, Mehdi Djafari-Rouhani, et al.. A redox reaction model for self-heating and aging prediction of Al/CuO multilayers. Combustion Theory and Modelling, 2019, 23 (4), pp.700-715. ⟨10.1080/13647830.2019.1584336⟩. ⟨hal-02061514⟩

Conference papers

Jérémy Cure, Kévin Cocq, Andréa Nicollet, Sarah Bailly, Fabien Mesnilgrente, et al.. Dispositif de Cellule Solaire Hydrogène intégrant des Matériaux dits Triptyques. GDR Solar Fuels 2019, May 2019, Saint-Aubin, France. ⟨hal-02137247⟩

Baptiste Julien, Jeremy Cure, Andréa Nicollet, Séverine Vivies, Alain Esteve, et al.. Interface engineering with metal nanoparticles to tune ignition of Al/CuO nanothermite. MRS Fall Meeting 2019, Dec 2019, Boston, United States. ⟨hal-03629202⟩

2018

Journal articles

Jérémy Cure, Hala Assi, Kévin Cocq, Lorena Marín, Katia Fajerwerg, et al.. Controlled Growth and Grafting of High-Density Au Nanoparticles on Zinc Oxide Thin Films by Photo-Deposition. Langmuir, 2018, 34 (5), pp.1932-1940. ⟨10.1021/acs.langmuir.7b04105⟩. ⟨hal-01690677⟩

Iman Abdallah, James Zapata, Guillaume Lahiner, Bénédicte Warot-Fonrose, Jérémy Cure, et al.. Structure and Chemical Characterization at the Atomic Level of Reactions in Al/CuO Multilayers. ACS Applied Energy Materials, 2018, 1 (4), pp.1762-1770. ⟨10.1021/acsaem.8b00296⟩. ⟨hal-01759153⟩

Yuzhi Gao, Mathilde Iachella, Eric Mattson, Antonio Lucero, Jiyoung Kim, et al.. Al Interaction with ZnO Surfaces. Journal of Physical Chemistry C, 2018, 122 (31), pp.17856-17864. ⟨10.1021/acs.jpcc.8b04952⟩. ⟨hal-01836008⟩

Théo Calais, Aurélien Bancaud, Alain Estève, Carole Rossi. Correlation between DNA Self-Assembly Kinetics, Microstructure, and Thermal Properties of Tunable Highly Energetic Al–CuO Nanocomposites for Micropyrotechnic Applications. ACS Applied Nano Materials, 2018, 1 (9), pp.4716-1425. ⟨10.1021/acsanm.8b00939⟩. ⟨hal-01874446⟩

Andréa Nicollet, Ludovic Salvagnac, Vincent Baijot, Alain Estève, Carole Rossi. Fast circuit breaker based on integration of Al/CuO nanothermites. Sensors and Actuators A: Physical , 2018, 273, pp.249-255. ⟨10.1016/j.sna.2018.02.044⟩. ⟨hal-01743964⟩

Conference papers

Jérémy Cure, Hala Assi, Kévin Cocq, Lorena Marin Mercado, Katia Fajerwerg, et al.. Controlled growth of high-density nanoparticles on zinc oxide thin films by photo-deposition. Gold 2018, Jul 2018, Paris, France. ⟨hal-01695272⟩

Reports

Guillaume Lahiner, James Zapata, Mehdi Djafari-Rouhani, Alain Estève, Carole Rossi. COLLABORATION DE RECHERCHE CNRS-LAAS/CEA-DAM n°148672 Etude théorique du vieillissement des nanolaminés Al/CuO, LOT 3 Rapport sur l’étude consolidée des mécanismes élémentaires - Démonstrateur logiciel. LAAS-CNRS. 2018. ⟨hal-01926511⟩

2017

Journal articles

Aaron Dangerfield, Charith E. Nanayakkara, Anupama Mallikarjunan, Xinjian Lei, Ronald M Pearlstein, et al.. Role of Trimethylaluminum in Low Temperature Atomic Layer Deposition of Silicon Nitride. Chemistry of Materials, 2017, 29 (14), pp.6022-6029. ⟨10.1021/acs.chemmater.7b01816⟩. ⟨hal-01623154⟩

Guillaume Lahiner, Andréa Nicollet, James Zapata, Lorena Marín, Nicolas Richard, et al.. A diffusion–reaction scheme for modeling ignition and self-propagating reactions in Al/CuO multilayered thin films. Journal of Applied Physics, 2017, 122 (15), pp.155105. ⟨10.1063/1.5000312⟩. ⟨hal-01620567⟩

Andréa Nicollet, Guillaume Lahiner, Andres Belisario, Sandrine Assié-Souleille, Mehdi Djafari-Rouhani, et al.. Investigation of Al/CuO multilayered thermite ignition. Journal of Applied Physics, 2017, 121 (3), pp.34503 - 34503. ⟨10.1063/1.4974288⟩. ⟨hal-01480996⟩

Théo Calais, David Bourrier, Aurélien Bancaud, Yves J. Chabal, Alain Estève, et al.. DNA grafting and arrangement on oxide surfaces for self-assembly of Al and CuO nanoparticles. Langmuir, 2017, 33 (43), pp.12193-12203. ⟨10.1021/acs.langmuir.7b02159⟩. ⟨hal-01613194⟩

Lorena Marín, Yuzhi Gao, Maxime Vallet, Iman Abdallah, Bénédicte Warot-Fonrose, et al.. Performance Enhancement via Incorporation of ZnO Nanolayers in Energetic Al/CuO Multilayers. Langmuir, 2017, 33 (41), pp.11086-11093. ⟨10.1021/acs.langmuir.7b02964⟩. ⟨hal-01613523⟩

Conference papers

Andréa Nicollet, Samuel Charlot, Vincent Baijot, Alain Estève, Carole Rossi. Ultra-rapid and fully integrated active pyrotechnic safety switches integrating nanothermites. 2017 Materials Research Society Fall Meeting & Exhibit, Nov 2017, Boston, MA, United States. ⟨hal-01688061⟩

Guillaume Lahiner, Iman Abdallah, Mehdi Djafari Rouhani, Alain Estève, Carole Rossi. A joint theoretical/experimental study to predict Al/CuO nanolaminates thermal ageing. Materials Research Society 2017 fall meeting (MRS 2017), Nov 2017, Boston, MA, United States. ⟨hal-01695241⟩

2016

Journal articles

Lorena Marín, Bénédicte Warot-Fonrose, Alain Estève, Yves J Chabal, Luis Alfredo Rodríguez González, et al.. Self-Organized Al 2 Cu Nanocrystals at the Interface of Aluminum-Based Reactive Nanolaminates to Lower Reaction Onset Temperature. ACS Applied Materials & Interfaces, 2016, 8 (20), pp.13104 - 13113. ⟨10.1021/acsami.6b02008⟩. ⟨hal-01707134⟩

Théo Calais, Vincent Baijot, Mehdi Djafari Rouhani, David Gauchard, Yves J Chabal, et al.. General Strategy for the Design of DNA Coding Sequences Applied to Nanoparticle Assembly. Langmuir, 2016, 32 (37), pp.9676-9686. ⟨10.1021/acs.langmuir.6b02843⟩. ⟨hal-01368340⟩

2015

Journal articles

Lorena Marín, Charith E. Nanayakkara, Jean-Francois Veyan, Bénédicte Warot-Fonrose, Sébastien Joulié, et al.. Enhancing the Reactivity of Al/CuO Nanolaminates by Cu Incorporation at the Interfaces. ACS Applied Materials & Interfaces, 2015, vol. 7 (n° 22), pp. 11713-11718. ⟨10.1021/acsami.5b02653⟩. ⟨hal-01452182⟩

Vincent Baijot, Ludovic Glavier, Jean-Marie Ducéré, Mehdi Djafari-Rouhani, Carole Rossi, et al.. Modeling the pressure generation in aluminum based thermites. Propellants, Explosives, Pyrotechnics, 2015, 40 (3), pp. 402-412. ⟨hal-01094520⟩

Théo Calais, Playe Benoit, Jean-Marie Ducéré, Jean-Francois Veyan, Rupich Sara, et al.. Role of Alumina Coatings for Selective and Controlled Bonding of DNA on Technologically Relevant Oxide Surfaces. Journal of Physical Chemistry C, 2015, 119 (41), pp 23527-23543. ⟨10.1021/acs.jpcc.5b06820⟩. ⟨hal-01496522⟩

Conference papers

Anne Hémeryck, Jean Marie Ducéré, Alain Estève, Mehdi Djafari-Rouhani, Philippe Menini. A Modeling Tentative of Operation of Gas Sensor through Atomic Scale Insights. Gas sensors based on semiconducting metal oxides: basic understanding & application fields ( GSSMO 2015), Jun 2015, Tubingen, Germany. ⟨hal-02051693⟩

Mathilde Guiltat, Alain Estève, Carole Rossi, Mehdi Djafari-Rouhani, Yves J Chabal, et al.. An Atomic Scale Insight into Interface Layers Formation in Al/CuO Nanolaminated Thin Films: a Kinetic Monte Carlo Simulation of Deposition Process. 42nd International Conference On Metallurgical Coatings & Thin Films (ICMCTF 2015), Apr 2015, San Diego, CA, United States. ⟨hal-01575987⟩

2014

Journal articles

Cloé Lanthony, Mathilde Guiltat, Jean-Marie Ducéré, Agnès Verdier, Anne Hémeryck, et al.. Elementary surface chemistry during CuO/Al nanothermites synthesis: copper and oxygen deposition on aluminium (111) surfaces. ACS Applied Materials & Interfaces, 2014, 6 (17), pp 15086-15097. ⟨10.1021/am503126k⟩. ⟨hal-01496569⟩

Marie Brut, Alain Estève, Georges Landa, Mehdi Djafari-Rouhani. Toward in Silico Biomolecular Manipulation through Static Modes: Atomic Scale Characterization of HIV-1 Protease Flexibility. Journal of Physical Chemistry B, 2014, 118 (11), pp.2821-2830. ⟨10.1021/jp4113156⟩. ⟨hal-01481802⟩