By combining ab initio all-electron localized orbital and pseudopotential plane-wave approaches we report on calculations of the electron affinity (EA) and the ionization potential (IP) of (5, 5) and (7, 0) single-wall carbon nanotubes. The role played by finite-size effects and nanotube termination has been analysed by comparing several hydrogen-passivated and not passivated nanotube segments....

In recent years, the ternary boron carbonitride (BCN) nanotubes have attracted increasing interests because of their unique electronic properties and potential technological applications. A prime advantage of the BCN nanotubes over their carbon counterparts is the relative simplicity in manipulating the electronic structures. Theoretical calculations have predicted that the band gap of BCN nano...

In this communication, we report the preparation of DNA-SWNT hybrid hydrogel which is pH responsive and strength tunable.

Carbon nanotubes display either metallic or semiconducting properties. Both large, multiwalled nanotubes (MWNTs), with many concentric carbon shells, and bundles or "ropes" of aligned single-walled nanotubes (SWNTs), are complex composite conductors that incorporate many weakly coupled nanotubes that each have a different electronic structure. Here we demonstrate a simple and reliable method fo...

The nanotribological characterization of carbon nanotubes is fundamental for the exploration of new sliding applications. In this study, a comprehensive investigation of adhesion, friction and wear of a multiwalled nanotube (MWNT) tip, and SWNT (single-walled nanotube) and MWNT arrays has been carried out. A nonlinear response of the MWNT tip is observed when the tip is brought into and out of ...

A pigment array has been constructed within a paracrystalline amyloid nanotube and Förster energy transfer along the nanotube surface has been demonstrated to self-assembled acceptor dyes.

Electrical sensitivity of a boron nitride nanotube (BNNT)  was examined toward C2H5OH molecules by using density functional theory (DFT)  calculations . It was founding that the adsorption energy(Ead) of ethanol on the  pristine  nanotubes  is about -51.5 kJ / mol, but when  the nanotube has been doped  with Si and Al atoms , the adsorption  and recovery time ch...