4 citations · 4 across the 5 of their papers we have counts for
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Effect of van der Waals forces on the stacking of coronenes encapsulated in a single-wall carbon nanotube and many-body excitation spectrum
Yannick J. Dappe, José I. Martínez
We investigate the geometry, stability, electronic structure and optical properties of C24H12 coronenes encapsulated in a single-wall (19,0) carbon nanotube. By an adequate combina…
First-principles Structural and Electronic Characterization of Ordered SiO2 Nanowires
José I. Martínez, Federico Calle-Vallejo, Clifford M. Krowne +1
Density functional theory and molecular dynamics simulations have been used to optimize the structure of nanowires of SiO2. The starting structures were based on b-cristobalite, or…
Energy Level Alignment in Organic-Organic Heterojunctions: The TTF-TCNQ Interface
Juan I. Beltrán, Fernando Flores, José I. Martínez +1
The energy level alignment of the two organic materials forming the TTF-TCNQ interface is analyzed by means of a local orbital DFT calculation, including an appropriate correction…