Christophe Bichara
R3
DR2
chercheur
Modélisation / Simulation Numérique / Matériaux / Structure / Thermodynamique
- Computational Material Science - Statistical Physics and Thermodynamics - Specific interests in :
-
-* Disorder, liquid matter, non crystalline materials
-* Confined systems
-* Carbon nanostructures
2020
Simulating the Geological Fate of Terrestrial Organic Matter: Lignin vs Cellulose
Lea Atmani, Pierre-Louis Valdenaire, Roland J.-M. Pellenq, Christophe Bichara, Henri van Damme, Adri van Duin, Franz Ulm, Jean-Marc Leyssale
Energy and Fuels 34:1537-1547 (2020)10.1021/acs.energyfuels.9b03681 
Morphology control of metallic nanoparticles supported on carbon substrates in catalytic conditions
Yann Magnin, Emmanuel Villermaux, Hakim Amara, Christophe Bichara, Roland Pellenq
Carbon 159:504-511 (2020)10.1016/j.carbon.2019.12.025
2019
Atomic-scale structural identification and evolution of Co-W-C ternary SWCNT catalytic nanoparticles: High-resolution STEM imaging on SiO 2
Hua An, Akihito Kumamoto, Rong Xiang, Taiki Inoue, Keigo Otsuka, Shohei Chiashi, Christophe Bichara, Annick Loiseau, Yan Li, Yuichi Ikuhara, Shigeo Maruyama
Science Advances 5:eaat9459 pages 1-8 (2019)10.1126/sciadv.aat9459
Tuning bimetallic catalysts for a selective growth of SWCNTs
Salomé Forel, Alice Castan, Hakim Amara, Ileana Florea, Frédéric Fossard, Laure Catala, Christophe Bichara, Talal Mallah, Vincent Huc, Annick Loiseau, Costel-Sorin Cojocaru
Nanoscale 11:4091-4100 (2019)10.1039/c8nr09589b
Cutting floating single-walled carbon nanotubes with a ‘CO2 blade’
Ying Tian, Nan Wei, Patrik Laiho, Saeed Ahmad, Yann Magnin, Yongping Liao, Christophe Bichara, Hua Jiang, Esko Kauppinen
Carbon 143:481-486 (2019)10.1016/j.carbon.2018.11.035
2018
Growth Modes and Chiral Selectivity of Single-Walled Carbon Nanotubes
Maoshuai He, Yann Magnin, Hua Jiang, Hakim Amara, Esko I. Kauppinen, Annick Loiseau, Christophe Bichara
Nanoscale (2018)
Entropy driven stability of chiral single-walled carbon nanotubes
Yann Magnin, Hakim Amara, François Ducastelle, Annick Loiseau, Christophe Bichara
Science 362:212-215 (2018)10.1126/science.aat6228
Ni 2 C surface carbide to catalyze low-temperature graphene growth
Rafael Martinez-Gordillo, Céline Varvenne, Hakim Amara, Christophe Bichara
Physical Review B: Condensed Matter and Materials Physics 97:1-9 (2018)10.1103/PhysRevB.97.205431
Carbon Nanotubes and Related Nanomaterials: Critical Advances and Challenges for Synthesis toward Mainstream Commercial Applications
Rahul Rao, Cary Pint, Ahmad Islam, Robert Weatherup, Stephan Hofmann, Eric Meshot, Fanqi Wu, Chongwu Zhou, Nicholas Dee, Placidus Amama, Jennifer Carpena-Nuñez, Wenbo Shi, Desiree Plata, Evgeni Penev, Boris Yakobson, Perla Balbuena, Christophe Bichara, Don Futaba, Suguru Shi, Homin Shi, Keun Su Kim, Benoit Simard, Francesca Mirri, Matteo Pasquali, Francesco Fornasiero, Esko Kauppinen, Michael Arnold, Baratunde Cola, Pavel Nikolaev, Sivaram Arepalli, Hui-Ming Cheng, Dmitri Zakharov, Eric Stach, Jin Zhang, Fei Wei, Mauricio Terrones, David Geohegan, Benji Maruyama, Shigeo Shi, Yan Li, W. Wade Adams, A. John Hart
ACS Nano 12:11756-11784 (2018)
Incipient Metals: Functional Materials with a Unique Bonding Mechanism
Matthias Wuttig, Volker Deringer, Xavier Gonze, Christophe Bichara, Jean-Yves Raty
Advanced Materials 30:1803777 (2018)
2017
Probing the role of carbon solubility in transition metal catalyzing Single-Walled Carbon Nanotubes growth
Juan-Manuel Aguiar-Hualde, Yann Magnin, Hakim Amara, Christophe Bichara
Carbon 120:226-232 (2017)10.1016/j.carbon.2017.05.035
Modeling the Growth of Single-Wall Carbon Nanotubes
Hakim Amara, Christophe Bichara
Topics in current chemistry 375 (2017)10.1007/s41061-017-0141-8
From cellulose to kerogen: molecular simulation of a geological process
Lea Atmani, Christophe Bichara, Roland J.-M. Pellenq, Henri van Damme, Adri van Duin, Zamaan Raza, Lionel Truflandier, Amaël Obliger, Paul Kralert, Franz Ulm, Jean-Marc Leyssale
Chemical Science 8:8325-8335 (2017)10.1039/C7SC03466K
Linking growth mode to lengths of single-walled carbon nanotubes
Maoshuai He, Yann Magnin, Hakim Amara, Hua Jiang, Hongzhi Cui, Frederic Fossard, Alice Castan, Esko Kauppinen, Annick Loiseau, Christophe Bichara
Carbon 113:pages 231-236 (2017)10.1016/j.carbon.2016.11.057
Magnetism as indirect tool for carbon content assessment in nickel nanoparticles
Y. Oumellal, Y. Magnin, A. Martínez de Yuso, J.M. Aguiar Hualde, H. Amara, V. Paul-Boncour, C. Matei Ghimbeu, A. Malouche, C. Bichara, R. Pellenq, C. Zlotea
Journal of Applied Physics 122 (2017)10.1063/1.5006138
Magnetism as indirect tool for carbon content assessment in nickel nanoparticles
Y. Oumellal, Y. Magnin, A. Martínez de Yuso, J. Aguiar Hualde, H. Amara, V. Paul-Boncour, C. Matei Ghimbeu, A. Malouche, C. Bichara, R. Pellenq, C. Zlotea
Journal of Applied Physics 122:213902 (2017)10.1063/1.5006138
2016
Fracture toughness anomalies: Viewpoint of topological constraint theory
Mathieu Bauchy, Bu Wang, Mengyi Wang, Yingtian Yu, Mohammad Javad Abdolhosseini Qomi, Morten M. Smedskjaer, Christophe Bichara, Franz-Josef Ulm, Roland Pellenq
Acta Materialia 121:234-239 (2016)10.1016/j.actamat.2016.09.004
2015
Rigidity Transition in Materials: Hardness is Driven by Weak Atomic Constraints
M. Bauchy, M.J.A. Qomi, C. Bichara, F.J. Ulm, R.J-M. Pellenq
Physical Review Letters 114:125502 (2015)
Size Dependent Phase Diagrams of Nickel-Carbon Nanoparticles
Y. Magnin, A. Zapelli, H. Amara, F. Ducastelle, C. Bichara
Physical Review Letters 115:205502 (2015)
Aging mechanisms in amorphous phase-change materials
J.Y. Raty, W. Zhang, J. Luckas, C. Chen, R. Mazzarello, C. Bichara, M Wuttig
Nature Communications 6:7467 (2015)
2014
Thermal expansion of free-standing graphene: benchmarking semi-empirical potentials
Y Magnin, G Förster, F. Rabilloud, F. Calvo, A. Zappelli, C. Bichara
Journal of Physics: Condensed Matter 26:185401 (2014)10.1088/0953-8984/26/18/185401
Effect of concentration in Ge-Te liquids: A combined density functional and neutron scattering study
Matthieu Micoulaut, M.-V. Coulet, Andrea Piarristeguy, M. Johnson, Gabriel Cuello, C. Bichara, J.-Y. Raty, H. Flores-Ruiz, Annie Pradel
Physical Review B: Condensed Matter and Materials Physics 89:174205 (2014)10.1103/PhysRevB.89.174205
2013
Atomistic modelling of CVD synthesis of carbon nanotubes and graphene
J.A. Elliott, Y. Shibuta, H. Amara, C. Bichara, E.C. Neyts
Nanoscale 5:6662-6676 (2013)
Computational studies of catalyst-free single walled carbon nanotube growth
S. Haghighatpanah, A. Mohsenzadeh, H. Amara, C. Bichara, K. Bolton
Journal of Chemical Physics 139:054308 (2013)
Current understanding of the growth of carbon nanotubes in catalytic chemical vapour deposition
Vincent Jourdain, Christophe Bichara
Carbon 58:2-39 (2013)10.1016/j.carbon.2013.02.046
Vibrational properties and stabilization mechanism of the amorphous phase of doped GeTe
J.Y. Raty, P. Noe, G. Ghezzi, S. Maitrejean, C. Bichara, F. Hippert
Physical Review B: Condensed Matter and Materials Physics 88:014203 (2013)
2012
Carbon solubility in nickel nanoparticles: A grand canonical Monte Carlo study
M. Diarra, H. Amara, F. Ducastelle, C. Bichara
physica status solidi (b) 249:2629-2634 (2012)
Role of defect healing on the chirality of single-wall carbon nanotubes
M. Diarra, H. Amara, C. Bichara, F. Ducastelle
Physical Review B: Condensed Matter and Materials Physics 85:245446 (2012)
Evidence of Correlation between Catalyst Particles and the Single-Wall Carbon Nanotube Diameter: A First Step towards Chirality Control
M.-F. C. Fiawoo, Anne Marie Bonnot, H Amara, C Bichara, J Thibault-Pénisson, A Loiseau
Physical Review Online Archive (PROLA) 108:195503 (2012)10.1103/PhysRevLett.108.195503
Computational studies of graphene growth mechanisms
S. Haghighatpanah, A. Borjesson, C. Bichara, K. Bolton
Physical Review B: Condensed Matter and Materials Physics 85:205448 (2012)