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Porous graphene and graphenylene nanotubes: Electronic structure and strain effects
(2017-12-01)
The unusual and unique mechanical and electronic properties of nanostructured carbon materials make them useful in the construction of nanodevices. We investigate a new class of structures, called porous nanotubes, which ...
Single- and double-wall carbon nanotubes fully covered with tetraphenylporphyrins: Stability and optoelectronic properties from ab initio calculations
(Elsevier, 2015-06)
The optoelectronic properties of single- and double-wall carbon nanotubes (CNTs) noncovalently functionalized with tetraphenylporphyrins (TPPs) are addressed by dispersion-corrected ab initio calculations. Five CNT species ...
Electrooxidation of DNA at glassy carbon electrodes modified with multiwall carbon nanotubes dispersed in polyethylenimine
(2011)
This work reports the electrochemical response of the complex between dsDNA and PEI formed in solution and at the surface of glassy carbon electrodes (GCE) modified with a dispersion of multi-walled carbon nanotubes in ...
Atomistic simulation of soldering iron filled carbon nanotubes
(Elsevier, 2014-07)
The melting and soldering processes of two iron filled carbon nanotubes is explored by means of classical molecular dynamics, in order to develop an understanding of the underlying mechanisms that govern the dynamics of ...