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A semi-grand canonical kinetic Monte Carlo study of single-walled carbon nanotube growth
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Dynamic instability of individual carbon nanotube growth revealed by in situ homodyne polarization microscopy
Vladimir Pimonov
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Huy-Nam Tran
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Quantitative insights into the growth mechanisms of nanopores in hexagonal boron nitride
Ki Kang Kim
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Simulating the Geological Fate of Terrestrial Organic Matter: Lignin vs Cellulose
Lea Atmani
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Article dans une revue
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Morphology control of metallic nanoparticles supported on carbon substrates in catalytic conditions
Yann Magnin
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Article dans une revue
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A deep learning approach for determining the chiral indices of carbon nanotubes from high-resolution transmission electron microscopy images
Georg Daniel Förster
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Alice Castan
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Tuning bimetallic catalysts for a selective growth of SWCNTs
Salomé Forel
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Alice Castan
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Ileana Florea
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Frédéric Fossard
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Cutting floating single-walled carbon nanotubes with a ‘CO2 blade’
Ying Tian
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Nan Wei
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Patrik Laiho
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Saeed Ahmad
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Atomic-scale structural identification and evolution of Co-W-C ternary SWCNT catalytic nanoparticles: High-resolution STEM imaging on SiO 2
Hua An
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Akihito Kumamoto
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Rong Xiang
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Keigo Otsuka
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Growth Modes and Chiral Selectivity of Single-Walled Carbon Nanotubes
Maoshuai He
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Yann Magnin
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Hua Jiang
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Hakim Amara
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Esko I. Kauppinen
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Carbon Nanotubes and Related Nanomaterials: Critical Advances and Challenges for Synthesis toward Mainstream Commercial Applications
Rahul Rao
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Cary Pint
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Ahmad Islam
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Robert Weatherup
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Stephan Hofmann
ACS Nano, 2018, 12 (12), pp.11756-11784
Article dans une revue
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Entropy driven stability of chiral single-walled carbon nanotubes
Yann Magnin
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Hakim Amara
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François Ducastelle
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Annick Loiseau
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Article dans une revue
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Ni 2 C surface carbide to catalyze low-temperature graphene growth
Rafael Martinez-Gordillo
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Céline Varvenne
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Hakim Amara
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Christophe Bichara
Article dans une revue
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Incipient Metals: Functional Materials with a Unique Bonding Mechanism
Matthias Wuttig
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Volker Deringer
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Xavier Gonze
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Christophe Bichara
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Jean-Yves Raty
Advanced Materials, 2018, 30 (51), pp.1803777
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Probing the role of carbon solubility in transition metal catalyzing Single-Walled Carbon Nanotubes growth
Juan-Manuel Aguiar-Hualde
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Yann Magnin
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Hakim Amara
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Christophe Bichara
Article dans une revue
hal-01473560v1
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From cellulose to kerogen: molecular simulation of a geological process
Lea Atmani
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Christophe Bichara
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Roland J.-M. Pellenq
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Henri van Damme
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Adri van Duin
Article dans une revue
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Magnetism as indirect tool for carbon content assessment in nickel nanoparticles
Y. Oumellal
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Linking growth mode to lengths of single-walled carbon nanotubes
Maoshuai He
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Yann Magnin
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Hakim Amara
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Hua Jiang
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Hongzhi Cui
Article dans une revue
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Modeling the Growth of Single-Wall Carbon Nanotubes
Hakim Amara
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Article dans une revue
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Fracture toughness anomalies: Viewpoint of topological constraint theory
Mathieu Bauchy
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Bu Wang
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Mengyi Wang
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Yingtian Yu
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Mohammad Javad Abdolhosseini Qomi
Article dans une revue
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Rigidity Transition in Materials: Hardness is Driven by Weak Atomic Constraints
M. Bauchy
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F.J. Ulm
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Physical Review Letters, 2015, 114, pp.125502
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Aging mechanisms in amorphous phase-change materials
J.Y. Raty
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Nature Communications, 2015, 6, pp.7467
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Size Dependent Phase Diagrams of Nickel-Carbon Nanoparticles
Y. Magnin
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Physical Review Letters, 2015, 115, pp.205502
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Effect of concentration in Ge-Te liquids: A combined density functional and neutron scattering study
Matthieu Micoulaut
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Thermal expansion of free-standing graphene: benchmarking semi-empirical potentials
Y Magnin
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Vibrational properties and stabilization mechanism of the amorphous phase of doped GeTe
J.Y. Raty
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Atomistic modelling of CVD synthesis of carbon nanotubes and graphene
J.A. Elliott
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Current understanding of the growth of carbon nanotubes in catalytic chemical vapour deposition
Vincent Jourdain
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Article dans une revue
hal-01067024v1
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Computational studies of catalyst-free single walled carbon nanotube growth
S. Haghighatpanah
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Journal of Chemical Physics, 2013, 139, pp.054308
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Importance of Carbon Solubility and Wetting Properties of Nickel Nanoparticles for Single Wall Nanotube Growth
M. Diarra
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Article dans une revue
hal-00773480v1
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Evidence of Correlation between Catalyst Particles and the Single-Wall Carbon Nanotube Diameter: A First Step towards Chirality Control
M-F.C. Fiawoo
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Anne-Marie Bonnot
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H. Amara
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C. Bichara
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J. Thibault-Penisson
Article dans une revue
hal-01002327v1
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Evidence of Correlation between Catalyst Particles and the Single-Wall Carbon Nanotube Diameter: A First Step towards Chirality Control
M.-F. C. Fiawoo
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Anne Marie Bonnot
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Article dans une revue
hal-01075303v1
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Role of defect healing on the chirality of single-wall carbon nanotubes
M. Diarra
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C. Bichara
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Article dans une revue
hal-00773463v1
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Computational studies of graphene growth mechanisms
S. Haghighatpanah
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Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2012, 85 (20), pp.205448
Article dans une revue
hal-00724341v1
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Structure and properties of nanoscale materials: theory and atomistic computer simulation
C. Bichara
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Article dans une revue
hal-00697530v1
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Comment on "New Structural Picture of the Ge2Sb2Te5 Phase-Change Alloy"
J.Y. Raty
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Physical Review Letters, 2012, 108 (23), pp.239601
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Carbon solubility in nickel nanoparticles: A grand canonical Monte Carlo study
M. Diarra
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physica status solidi (b), 2012, 249 (12), pp.2629-2634
Article dans une revue
hal-00773486v1
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Tight binding within the fourth moment approximation: Efficient implementation and application to liquid Ni droplet diffusion on graphene
J.H. Los
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Article dans une revue
hal-00695996v1
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Atomic structure of amorphous and crystallized Ge15Sb85
P. Zalden
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J. van Eijk
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Article dans une revue
hal-00523854v1
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Nickel-assisted healing of defective graphene
S. Karoui
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Article dans une revue
hal-00566372v1
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Density Functional Theory and Tight Binding-Based Dynamical Studies of Carbon Metal Systems of Relevance to Carbon Nanotube Growth
K. Bolton
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A. Borjesson
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W. Zhu
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H. Amara
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C. Bichara
Nano Research, 2010, 2, pp.774-782
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hal-00523853v1
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Amorphous structure and electronic properties of the Ge1Sb2Te4 phase change material
J.Y. Raty
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C. Otjacques
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J.P. Gaspard
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Solid State Sciences, 2010, 12 (2), pp.193-198
Article dans une revue
hal-00475838v1
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Computational Studies of Metal-Carbon Nanotube Interfaces for Regrowth and Electronic Transport
A. Brjesson
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W. Zhu
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H. Amara
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C. Bichara
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K. Bolton
Article dans une revue
hal-00371301v1
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Tight-binding potential for atomistic simulations of carbon interacting with transition metals: Application to the Ni-C system
H. Amara
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J.-M. Roussel
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C. Bichara
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J.-P. Gaspard
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Article dans une revue
hal-00356771v1
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Dynamics of the negative thermal expansion in tellurium based liquid alloys
C. Otjacques
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M.-V. Coulet
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M. Johnson
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Physical Review Letters, 2009, 103, pp.245901
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hal-00440724v1
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Early Stages in the Nucleation Process of Carbon Nanotubes
M. Moors
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H. Amara
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T. Visart de Bocarme
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C. Bichara
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F. Ducastelle
Article dans une revue
hal-00372419v1
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Hydrogen storage enhanced in Li-doped carbon replica of zeolites : a possible route to achieve fuel cell demand
T. Roussel
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C. Bichara
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K.E. Gubbins
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R.J.M. Pellenq
Journal of Chemical Physics, 2009, 130 (17), pp.174717
Article dans une revue
hal-00413543v1
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Understanding the nucleation mechanisms of carbon nanotubes in catalytic chemical vapor deposition
H. Amara
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C. Bichara
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Physical Review Letters, 2008, 100 (5), pp.056105
Article dans une revue
hal-00303796v1
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Interaction of carbon clusters with Ni(100) : application to the nucleation of carbon nanotubes
H. Amara
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C. Bichara
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Surface Science : A Journal Devoted to the Physics and Chemistry of Interfaces, 2008, 602 (1), pp.77-83
Article dans une revue
hal-00269962v1
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Characteristic ordering in liquid phase change materials
C. Steimer
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M.-V. Coulet
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W. Welnic
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H. Dieker
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Advanced Materials, 2008, 20 (23), pp.4535-4540
Article dans une revue
hal-00386890v1
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A Tight-Binding Grand Canonical Monte Carlo Study of the Catalytic Growth of Carbon Nanotubes
H. Amara
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C. Bichara
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F. Ducastelle
Journal of Nanoscience and Nanotechnology, 2008, 8, pp.6099-6104
Article dans une revue
hal-00386875v1
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Local order in undercooled liquid metals: a tight binding molecular dynamics approach
T. Roussel
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C. Mottet
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C. Bichara
Journal of Non-Crystalline Solids, 2007, 353, pp.3679-3683
Article dans une revue
hal-00303642v1
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Experimental and atomistic simulation study of the structural and adsorption properties of Faujasite zeolite-templated nanostructured carbon materialst
T. Roussel
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A. Didion
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R.J.M. Pellenq
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C. Bichara
Journal of Physical Chemistry C, 2007, 111, pp.15863
Article dans une revue
hal-00386857v1
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Structure of narrow-diameter single-wall carbon nanotubes grown in AlPO4-5 zeolite
T. Roussel
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R.J.M. Pellenq
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C. Bichara
Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2007, 76, pp.235418
Article dans une revue
hal-00386854v1
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Octahedral structure of liquid GeSb2Te4 alloy: First-principles molecular dynamics study
C. Bichara
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M. Johnson
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Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2007, 75, pp.060201
Article dans une revue
hal-00175327v1
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Octahedral structure of liquid GeSb2Te4 alloy : first-principles molecular dynamics study
C. Bichara
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M. Johnson
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Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2007, 75 (6), pp.art n°060201
Article dans une revue
hal-00143164v1
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Formation of carbon nanostructures on nickel surfaces : a tight-binding grand canonical Monte Carlo study
H. Amara
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C. Bichara
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F. Ducastelle
Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2006, 73, n° 11, pp.113404
Article dans une revue
hal-00023674v1
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Temperature-induced density anomaly in Te-rich liquid germanium tellurides : p versus sp(3) bonding ?
C. Bichara
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M. Johnson
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Physical Review Letters, 2005, 95, n° 26, pp.267801
Article dans une revue
hal-00017819v1
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Reverse Monte Carlo analysis of the local order in liquid Ge0.15Te0.85 alloys combining neutron scattering and X-ray absorption spectroscopy
M.V. Coulet
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D. Testemale
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J.L. Hazemann
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J.P. Gaspard
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C. Bichara
Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2005, 72, pp.174209
Article dans une revue
hal-00070959v1
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Selenium and carbon nanostructures in the pores of AlPO4-5
T. Roussel
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C. Bichara
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R.J.M. Pellenq
Adsorption - Journal of the International Adsorption Society, 2005, 11, pp.709-714
Article dans une revue
hal-00015248v1
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ON THE ATOMIC STRUCTURE OF LIQUID GaAs
Claire Bergman
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C. Bichara
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P. Chieux
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J. Gaspard
Article dans une revue
jpa-00225152v1
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