Topology of C20 Based Spongy Nanostructures

IR and UV Spectroscopic Analysis of C20 Carbon Nanostructures

Infrared (IR) and ultraviolet (UV) spectroscopic analysis of eight structural isomers of C20 carbon nanostructures, i.e. ring, tadpole, bow-tie, dumb-bell, spiro, propellane, bowl and cage, were performed at different levels of theory including semi-empirical (AM1 and PM3), Hartree-Fock (HF/6-31++G, 6-31++G**) and density functional theory (B3LYP/6-31++G, 6-31++G**). A broad range of IR spectra...

Topology optimization of piezoelectric nanostructures

Nanoporous carbon structures based on C20

Rights: © 2011 American Physical Society (APS). This is the accepted version of the following article: Vehviläinen, T. T. & Ganchenkova, M. G. & Nieminen, Risto M. 2011. Nanoporous carbon structures based on C[sub 20]. Physical Review B. Volume 84, Issue 12. 125444/1-7. ISSN 1550-235X (electronic). DOI: 10.1103/physrevb.84.125444, which has been published in final form at http://journals.aps.or...

Spongy Diamond

Rhombellanes are mathematical structures existing in various environments, in crystal or quasicrystal networks, or even in their homeomorphs, further possible becoming real molecules. Rhombellanes originate in the K2.3 complete bipartite graph, a tile found in the linear polymeric staffanes. In close analogy, a rod-like polymer derived from hexahydroxy-cyclohexane was imagined. Further, the ide...

Surface effects on shape and topology optimization of nanostructures

We present a computational method for the optimization of nanostructures, where our specific interest is in capturing and elucidating surface stress and surface elastic effects on the optimal nanodesign. XFEM is used to solve the nanomechanical boundary value problem, which involves a discontinuity in the strain field and the presence of surface effects along the interface. The boundary of the ...