Related papers: Disentangling Vacancy Oxidation on Metallicity-Sor…
We apply first principles calculations to study the opening of single-wall carbon nanotubes (SWNT's) by oxidation. We show that an oxygen rim can stabilize the edge of the open tube. The sublimation of CO$_2$ molecules from the rim with the…
We show that the performance of pentacene transistors can be significantly improved by maximizing the interfacial area at single walled carbon nanotube (SWCNT)/pentacene. The interfacial areas are varied by anchoring short SWCNTs of…
A recent study [Rosati, Dolcini, and Rossi, Appl. Phys. Lett. 106, 243101 (2015)] has predicted that, while in semiconducting single-walled carbon nanotubes (SWNTs) an electronic wave packet experiences the typical spatial diffusion of…
Carbon nanotubes (CNTs) are a one-dimensional material system with intriguing physical properties that lead to emerging applications. While CNTs are unusually strain resistant compared to bulk materials, their optical-absorption spectrum is…
We present atomically-resolved STM images of single-wall carbon nanotubes (SWNTs) embedded in a crystalline nanotube rope. Although they may be interpreted as of a chiral nanotube, the images are more consistently explained a an achiral…
The influence of intrinsic defects of 1T-TaS2 on charge density waves (CDW) is studied using scanning tunneling microscopy and spectroscopy (STM, STS), angle-resolved photoelectron spectroscopy (ARPES), and density functional theory (DFT).…
Macroscopic fibres of carbon nanotubes are hierarchical structures combining long building blocks preferentially oriented along the fibre axis and a large porosity arising from the imperfect packing of bundles. Synchrotron small-angle X-ray…
Carbyne, a one-dimensional (1D) carbon allotrope with alternating triple and single bonds, has the highest known mechanical strength but is unstable to bending, limiting synthesis to short linear chains. Encapsulation within carbon…
Possibility of a ferromagnetic semiconductor single wall carbon nanotube (SWCNT), where ferromagnetism is due to coupling between doped magnetic impurity on a zigzag SWCNT and electrons spin, is investigate. We found, in the weak…
To provide physical insight into the recently observed photoluminescence saturation behaviors in single-walled carbon nanotubes implying the existence of an upper limit of exciton densities, we have performed a time-dependent theoretical…
As narrow optical bandgap materials, semiconducting single-walled carbon nanotubes (SWCNTs) are rarely regarded as charge donors in photoinduced charge-transfer (PCT) reactions. However, the unique band structure and unusual exciton…
Current methods for producing single-walled carbon nanotubes (SWNTs) lead to heterogeneous samples containing mixtures of metallic and semiconducting species with a variety of lengths and defects. Optical detection at the single nanotube…
The O(N) and parallelization techniques have been successfully applied in tight-binding molecular-dynamics simulations of single-walled carbon nanotubes (SWNTs) of various chiralities. The accuracy of the O(N) description is found to be…
We used scattering-type scanning near-field optical microscopy (s-SNOM) to characterize nickel nanoclusters grown inside single-walled carbon nanotubes (SWCNT). The nanotubes were filled with Ni(II) acetylacetonate and the molecules were…
We present a real-space formulation and implementation of Kohn-Sham Density Functional Theory suited to twisted geometries, and apply it to the study of torsional deformations of X (X = C, Si, Ge, Sn) nanotubes. Our formulation is based on…
A simple method combining photolithography and shadow (or angle) evaporation is developed to fabricate single-walled carbon nanotube (SWCNT) devices with tube lengths L~10-50 nm between metal contacts. Large numbers of such short devices…
Experimental studies of Zn1-xCoxO as thin films or nanocrystals have found ferromagnetism and Curie temperatures above room temperature and that p- or n-type doping of Zn1-xCoxO can change its magnetic state. Bulk Zn1-xCoxO with a low…
We address the long-standing question of the nature of oxygen vacancies in strontium titanate, using a combination of density functional theory and dynamical mean-field theory (DFT+DMFT) to investigate in particular the effect of…
We report an experimental noise study of intermediate sized quasi ballistic semiconducting multiwalled carbon nanotube (IS-MWCNT) devices. The noise is two orders of magnitude lower than in singlewalled nanotubes (SWCNTs) and has no length…
A detailed first-principle study has been performed to evaluate the electronic and optical properties of single-layer (SL) transition metal dichalcogenides (TMDCs) (MX${}_2$; M= transition metal such as Mo, W and X= S, Se, Te), in the…