103 citations · 242 across the 13 of their papers we have counts for
15 papers
Modelling Carbon Capture on Metal-Organic Frameworks with Quantum Computing
Gabriel Greene-Diniz, David Zsolt Manrique, Wassil Sennane +7
Despite the recent progress in quantum computational algorithms for chemistry, there is a dearth of quantum computational simulations focused on material science applications, espe…
Carbon nanotubes collapse phase diagram with arbitrary number of walls. Collapse modes and macroscopic analog
Y. Magnin, F. Rondepierre, W. Cui +2
Carbon nanotubes tend to collapse when their diameters exceed a certain threshold, or when a sufficiently large external pressure is applied on their walls. Their radial stability…
Granular-like behavior of molecular flow in constricted nanopores
Y. Magnin, N. Chanut, D. A. Pantano +4
The fluid flow through porous media is described by Darcy's law, while the fluid/wall interactions can be neglected. In nanopores, where adsorption dominates, Darcy's extension has…
Entropy driven stability of chiral single-walled carbon nanotubes
Yann Magnin, Hakim Amara, François Ducastelle +2
Single-walled carbon nanotubes are hollow cylinders, that can grow centimeters long by carbon incorporation at the interface with a catalyst. They display semi-conducting or metall…
Growth Modes and Chiral Selectivity of Single-Walled Carbon Nanotubes
Maoshuai He, Yann Magnin, Hua Jiang +4
Chemical vapor deposition synthesis of single-walled carbon nanotubes experiments, using Fe catalyst, and alternating methane and carbon monoxide as carbon feedstocks, lead to the…
Probing the role of carbon solubility in transition metal catalyzing Single-Walled Carbon Nanotubes growth
Juan-Manuel Aguiar-Hualde, Yann Magnin, Hakim Amara +1
Metal catalysts supporting the growth of Single Wall Carbon Nanotubes display different carbon solubilities and chemical reactivities. In order to specifically assess the role of c…
Structural Properties of Double-Walled Carbon Nanotubes driven by Mechanical Interlayer Coupling
Ahmed Ghedjatti, Yann Magnin, Frédéric Fossard +5
Structural identification of double-walled carbon nanotubes (DWNT) is presented through a robust procedure based on the latest generation of transmission electron microscope, makin…
Size dependent phase diagrams of Nickel-Carbon nanoparticles
Yann Magnin, Alexandre Zappelli, Hakim Amara +2
The carbon rich phase diagrams of nickel-carbon nanoparticles, relevant to catalysis and catalytic chemical vapor deposition synthesis of carbon nanotubes, are calculated for syste…
Interplay between Raman shift and thermal expansion in graphene: temperature-dependent measurements and analysis of substrate corrections
S. Linas, Y. Magnin, B. Poinsot +12
Measurements and calculations have shown significant disagreement regarding the sign and variations of the thermal expansion coefficient (TEC) of graphene . Here we report de…
Monte Carlo Study of Magnetic Resistivity in Semiconducting MnTe
Yann Magnin, Hung The Diep
We investigate in this paper properties of the spin resistivity in the magnetic semiconducting MnTe of NiAs structure. MnTe is a crossroad semiconductor with a large band gap. It i…
Spin transport in magnetically ordered systems: effect of the lattice relaxation time
Yann Magnin, Danh-Tai Hoang, Hung The Diep
Spin resistivity has been shown to result mainly from the scattering of itinerant spins with magnetic impurities and lattice spins. is proportional to the spin-spin correla…
Spin Resistivity in the Frustrated Model
Danh-Tai Hoang, Yann Magnin, Hung The Diep
We study in this paper the resistivity encountered by Ising itinerant spins traveling in the so-called frustrated simple cubic Ising lattice. For the lattice, we take int…
Spin Resistivity in Frustrated Antiferromagnets
Yann Magnin, K. Akabli, Hung The Diep
In this paper we study the spin transport in frustrated antiferromagnetic FCC films by Monte Carlo simulation. In the case of Ising spin model, we show that the spin resistivity ve…
Theory and Simulation of Spin Transport in Antiferromagnetic Semiconductors: Application to MnTe
K. Akabli, Yann Magnin, Masataka Oko +2
We study in this paper the parallel spin current in an antiferromagnetic semiconductor thin film where we take into account the interaction between itinerant spins and lattice spin…
Monte Carlo Study of the Spin Transport in Magnetic Materials
Yann Magnin, K. Akabli, Hung The Diep +1
The resistivity in magnetic materials has been theoretically shown to depend on the spin-spin correlation function which in turn depends on the magnetic-field, the density of condu…