2015- To Present

2020


A comprehensive theoretical picture of E centers in silicon: from optical properties to vacancy-mediated dopant diffusion - Gabriela Herrero Saboya, Layla Martin Samos, Anne Hémeryck, Nicolas Richard, accepted in Journal of Applied Physics XX (X) X-X doi: XX
Simulation of Single Particle Displacement Damage in Si1-xGex alloys – Interaction of Primary Particles with the Material and Generation of the Damage Structure - Thomas Jarrin, Antoine Jay, Mélanie Raine, Normand Mousseau, Anne Hémeryck, Nicolas Richard, published in IEEE Transactions on Nuclear Science XX (X) X-X doi: 10.1109/TNS.2020.2970488
Ionic transport under electric fields: equivalent polarization-work charge from Modern Theory of Polarization and connection with the classical picture - Nicolas Salles, Layla Martin Samos,  Stefano de Gironcoli, Luigi Giacomazzi, M. Valant, Anne Hémeryck, Philippe Blaise, Benoit Sklénard, Nicolas Richard - submitted in Nature Communications (2019)

2019


(Book Chapter) - Alexandru Oprea, David Degler, Nicolae Barsan, Anne Hémeryck, Julia Rebholz. Basics of semiconducting metal oxide–based gas sensors. Gas Sensors Based on Conducting Metal Oxides, Elsevier, pp.61-165, 2019 - doi: 10.1016/B978-0-12-811224-3.00003-2
Insight of Surfaces Treatments for CMOS Compatibility of InAs Nanowires - Daya Dhungana, Anne Hemeryck, Nicolo Sartori, Pier-Francesco Fazzini, Fuccio Cristiano, Sébastien Plissard - Nano Research 12 (2019) 581–586 - doi: doi.org/10.1007/s12274-018-2257-8
Defect creation and diffusion under electric fields from first-principles: the prototypical case of silicon dioxide - Nicolas Salles, Layla Martin Samos,  Stefano de Gironcoli, Luigi Giacomazzi, M. Valant, Anne Hémeryck, Philippe Blaise, Benoit Sklénard, Nicolas Richard - Conference paper - 2019 International Conference on Simulation of Semiconductor Processes and Devices (SISPAD), Sept 2019, Udine, Italy. pp.1-4 - doi: 10.1109/SISPAD.2019.8870555
Electronic and structural properties of interstitial titanium in crystalline silicon from first-principles simulations - Gabriela Herrero-Saboya, Layla Martin-Samos, Anne Hémeryck, Denis Rideau, Nicolas Richard - Conference paper - 2019 International Conference on Simulation of Semiconductor Processes and Devices (SISPAD), Sep 2019, Udine, Italy. pp.1-4. doi: 10.1109/SISPAD.2019.8870382
Simulation of Single Particle Displacement Damage in Si1-xGex alloys – Interaction of Primary Particles with the Material and Generation of the Damage Structure - Thomas Jarrin, Antoine Jay, Mélanie Raine, Normand Mousseau, Anne Hémeryck, Nicolas Richard - Conference paper - 2019 European Conference on Radiation and its Effects on Components and Systems (RADECS), Sept 2019, Montpellier, France. pp.1-9. (available on request)

 

2018


Water distribution within wild type NRas protein and Q61 mutants during unrestrained QM/MM dynamics - Ruth Tichauer, Gilles Favre, Stéphanie Cabantous, Georges Landa, Anne Hémeryck, Marie Brut - Biophysical Journal 115 (2018) 1417-1430 - doi: 10.1016/j.bpj.2018.07.042
Insight of Surfaces Treatments for CMOS Compatibility of InAs Nanowires - Daya Dhungana, Anne Hemeryck, Nicolo Sartori, Pier-Francesco Fazzini, Fuccio Cristiano, Sébastien Plissard - Nano Research (2018)  - link: https://link.springer.com/article/10.1007%2Fs12274-018-2257-8

Insight into the Bonding of Silanols to Oxidized Aluminum Surfaces - Matic Poberznik, Dominique Costa, Anne Hemeryck, Anton Kokalj - The Journal of Physical Chemistry C  122 (2018) 9417 - doi: 10.1021/acs.jpcc.7b12552
Simulation of Single Particle Displacement Damage in Silicon – Part III: Generation and Long-Time Relaxation of Damage Structure - Antoine Jay, Anne Hémeryck, Nicolas Richard, Layla Martin Samos, Mélanie Raine, Alexandre Le Roch, Normand Mousseau, Vincent Goiffon, Philippe Paillet, Marc Gaillardin, Pierre Magnan - IEEE Transactions on Nuclear Science 65 (2018) 724-731- doi: 10.1109/TNS.2018.2790843
Growth stability and decomposition of Mg2Si ultra-thin films on Si(100) - Brice Sarpi, Rachid Zirmi, Magali Putero, Mohammed Bouslama, Anne Hemeryck, Sébastien Vizzini, Applied Surface Science 427 (2018) 522 - doi: 10.1016/j.apsusc.2017.09.027

2017    


MgO monolayer epitaxy on Ni(100), Brice Sarpi, Magali Putero, Anne Hemeryck, Sébastien Vizzini, accepted in Applied Physics Letters
Ambient humidity influence of CO detection with SnO2 gas sensing materials - a DRIFTS/DFT investigation, Susanne Wicker, Mathilde Guiltat, Udo Weimar, Anne Hemeryck, Nicolae Barsan, accepted in Journal of Physical Chemistry
Growth stability and decomposition of Mg2Si ultra-thin films on Si(100), Brice Sarpi, Rachid Zirmi, Magali Putero, Mohammed Bouslama, Anne Hemeryck, Sébastien Vizzini, accepted in Applied Surface Science - 10.1016/j.apsusc.2017.09.027
Strain-driven diffusion process during silicon oxidation investigated by coupling Density Functional Theory and Activation Relaxation Technique, Nicolas Salles, Nicolas Richard, Normand Mousseau and Anne Hemeryck, Journal of Chemical Physics 147 (2017) 054701 - doi: 10.1063/1.4996206
DFT-D Study of Adsorption of Diaminoethane and Propylamine Molecules on TiO2-Anatase (101) Surface, Anne Hemeryck, Alessandro Motta, Corinne Lacaze-Dufaure, Dominique Costa and Philippe Marcus, Applied Surface Science 426 (2017) 107-115 - doi: 10.1016/j.apsusc.2017.07.161
Modeling Of The Interface Formation During CuO Deposition On Al(111) Substrate: Linking Material Design and Elaboration Process Parameters Through Multi-Levels Approach, Mathilde Guiltat, Nicolas Salles, Marie Brut, Georges Landa,Nicolas Richard, Sébastien Vizzini, Anne Hémeryck - Modelling and Simulation in Materials Science and Engineering 25 (2017) 064005 - Proceedings of MMM 2016  - doi: 10.1088/1361-651X/aa7bbc
Dioxygen molecule adsorption and oxygen atom diffusion on clean and defective Aluminum (111) surface using first principles calculations - Mathilde Guiltat, Marie Brut, Sébastien Vizzini, Anne Hémeryck - Surface Science 657 (2017) 79-89 - doi: 10.1016/j.susc.2016.11.010
Simulation of Single Particle Displacement Damage in Silicon – Part II: Generation and Long-Time Relaxation of Damage Structure - Antoine Jay, Mélanie Raine, Nicolas Richard, Normand Mousseau, Vincent Goiffon, Anne Hémeryck, Pierre Magnan - IEEE Transactions on Nuclear Science 64 (2017) 141-148 - doi: 10.1109/TNS.2016.2628089

2016     


A perfect wetting of Mg monolayer on Ag(111) under atomic scale investigation: first principles calculations, scanning tunneling microscopy and Auger spectroscopy - Amani Migaou, Brice Sarpi, Mathilde Guiltat, Kevin Payen, Rachid Daineche, Georges Landa, Sébastien Vizzini, Anne Hémeryck - The Journal of Chemical Physics 144 (2016) 194708 - doi: 10.1063/1.4949764
Ultra-thin MgO(111)-polar sheets grown onto Ag(111) - Brice Sarpi, Rachid Daineche, Christophe Girardeaux, Anne Hemeryck, Sébastien Vizzini - Applied Surface Science 361 (2016) 259 - doi: 10.1016/j.apsusc.2015.11.176

2015     


Role of Alumina Coatings for Selective and Controlled Bonding of DNA on Technologically Relevant Oxide Surfaces - Théo Calais, Benoit Playe, Jean-Marie Ducéré, J.-F. Veyan, Sarah Rupich, Anne Hemeryck, Mehdi Djafari Rouhani, Carole Rossi, Yves Chabal, Alain Esteve - The Journal of Physical Chemistry C 119 (2015) 23527 - doi: 10.1021/acs.jpcc.5b06820
Oxidation of Mg atomic monolayer onto silicon: A road toward MgOx/Mg2Si (11–1)/Si (100) heterostructure - Brice Sarpi, N. Rochdi, Rachid Daineche, Maxime Bertoglio, Christophe Girardeaux, A. Baronnet, J. Perrin-Toinin, M. Bocquet, Mehdi Djafari-Rouhani, Anne Hemeryck, Sébastien Vizzini - Surface Science 642 (2015) L1 - doi: 10.1016/j.susc.2015.08.003
Surface-interface exploration of Mg deposited on Si(100) and oxidation effect on interfacial layer - Brice Sarpi, Rachid Daineche, Chirstophe Girardeaux, Maxime Bertoglio, F. Derivaux, Jean-Paul Biberian, Anne Hemeryck, Sébastien Vizzini - Applied Physics Letters 106 (2015) 021604 - doi: 10.1063/1.4905592