108 citations · 108 across the 4 of their papers we have counts for
4 papers
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…
Efficient analytic continuation approach to Bethe-Salpeter excitation spectra in selected energy windows
Ivan Duchemin, Xavier Blase
We explore the merits of building the Bethe-Salpeter absorption spectrum in a specific energy range using analytic continuation techniques. Specifically, we calculate iteratively a…
Chemically Functionalized Semiconducting Carbon Nanotubes: Limits for High Conductance Performance
Alejandro Lopez-Bezanilla, X. Blase, Stephan Roche
We present a first-principles study of the electronic transport properties of micrometer long semiconducting CNTs randomly covered with carbene functional groups. Whereas prior stu…
Chemically-induced Mobility Gaps in Graphene Nanoribbons: A Route for Upscaling Device Performances
Blanca Biel, François Triozon, X. Blase +1
We report a first-principles based study of mesoscopic quantum transport in chemically doped graphene nanoribbons with a width up to 10 nm. The occurrence of quasibound states rela…