108 citations · 108 across the 4 of their papers we have counts for
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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…
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…