205 citations · 1.3k across the 43 of their papers we have counts for
8 papers · 1 filter
Stability and optoelectronic properties of oligothiophene molecules confined in boron-nitride nanotubes : A many-body theoretical approach
Xavier Blase, Mauricio Rodriguez-Mayorga, Ivan Duchemin
We investigate the structural and optoelectronic properties of oligothiophene (nT) molecules encapsulated in boron-nitride (BN) nanotubes using density functional theory, many-body…
Photoluminescent properties of the carbon-dimer defect in hexagonal boron-nitride: a many-body finite-size cluster approach
Michael Winter, Manon H. E. Bousquet, Denis Jacquemin +2
We study the carbon dimer defect in a hexagonal boron-nitride monolayer using the GW and Bethe-Salpeter many-body perturbation theories within a finite size cluster approach. While…
Optical properties of graphene quantum dots: the role of chiral symmetry
Denis M. Basko, Ivan Duchemin, Xavier Blase
We analyse the electronic and optical properties of graphene quantum dots (GQD) using accurate \textit{ab initio} many-body and Bethe-Salpeter calculations. We show that most…
Mechanical Tuning of Thermal Transport in a Molecular Junction
Qian Li, Ivan Duchemin, Shiyun Xiong +2
Understanding and controlling heat transport in molecular junctions would provide new routes to design nanoscale coupled electronic and phononic devices. Using first principles ful…
Phonon-limited carrier mobility and resistivity from carbon nanotubes to graphene
Jing Li, Henrique Pereira Coutada Miranda, Yann-Michel Niquet +4
Under which conditions do the electrical transport properties of one-dimensional (1D) carbon nanotubes (CNTs) and 2D graphene become equivalent? We have performed atomistic calcula…
Magneto-transport Subbands Spectroscopy in InAs Nanowires
Florian Vigneau, Vladimir Prudkovkiy, Ivan Duchemin +6
We report on magneto-transport measurements in InAs nanowires under large magnetic field (up to 55T), providing a direct spectroscopy of the 1D electronic band structure. Large mod…
Quantum calculations of the carrier mobility in thin films: Methodology, Matthiessen's rule and comparison with semi-classical approaches
Yann-Michel Niquet, Viet-Hung Nguyen, François Triozon +3
We discuss the calculation of the carrier mobility in silicon films within the quantum Non-Equilibrium Green's Functions (NEGF) framework. We introduce a new method for the extract…
Atomistic calculation of the thermal conductance of large scale bulk-nanowire junctions
Ivan Duchemin, Davide Donadio
We have developed an efficient scalable kernel method for thermal transport in open systems, with which we have computed the thermal conductance of a junction between bulk silicon…