相关论文: Are fluorinated BN nanotubes n-type semiconductors…

Oxide materials offer a wide range of interesting physical and chemical properties. Even more versatile behavior of oxides is seen at the nanoscale, qualifying these materials for a number of applications. In this study we used DFT…

A comparative study of the effect of Fe and Ni doping on the bismuth based perovskite La0.6Bi0.4MnO3.1, a projected spintronics magnetic semiconductor has been carried out. The doped systems show an expressive change in magnetic ordering…

We predict intrinsic half-metallicity in armchair boron nitride nanoribbons (ABNNRs) via edge fluorination. The stability, electronic and magnetic properties of bare and edge fluorinated ABNNRs have been systematically analyzed by means of…

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 with different…

A series of solid organic acids were used to p-dope carbon nanotubes. The extent of doping is shown to be dependent on the pKa value of the acids. Highly fluorinated carboxylic acids and sulfonic acids are very effective in shifting the…

Robust control over the carrier type is fundamental for the fabrication of nanocrystal-based optoelectronic devices, such as the p-n homojunction, but effective incorporation of impurities in semiconductor nanocrystals and its…

The future of spintronic and semiconductor applications demands materials with tailored electronic and magnetic properties. This study uses density functional theory to investigate the electronic structure of the half-metallic compound…

Carbon nanotube fibers are materials with an exceptional combination of properties, including higher toughness than carbon fibers, electrical conductivity above metals, large specific surface area (250 $\frac{m^2}{g}$) and high…

N-type doping of high-resistance wide bandgap semiconductors, wurtzite high-Mg-content MgxZn1-xO for instance, has always been a fundamental application-motivated research issue. Herein, we report a solution to enhancing the conductivity of…

The configurations, stability and electronic structures of a new class of boron sheet and related boron nanotubes are predicted within the framework of density functional theory. This boron sheet is sparser than those of recent proposals.…

High-performance solution-processed short-channel carbon nanotube (CNT) thin film transistors (TFTs) are fabricated using densely aligned arrays of metallic CNTs (m-CNTs) as source and drain electrodes, and aligned arrays of semiconducting…

This review compiles results of experimental and theoretical studies on thin films and quantum structures of semiconductors with randomly distributed Mn ions, which exhibit spintronic functionalities associated with collective ferromagnetic…

We have studied in details the electronic structure and magnetism in M (Mn and Cr) doped semiconducting half-Heusler compounds FeVSb, CoTiSb and NiTiSn (XM$_{x}$Y$_{1-x}$Z) in a wide concentration range using local-spin density functional…

New fluoropnictides BaMnPnF with Pn = As, Sb, Bi, are synthesized by stoichiometric reaction of elements with BaF\_2. The compounds crystallize in the tetragonal P4/nmm (No. 129, Z = 2) space group, with the ZrCuSiAs-type structure, as…

We report density-functional theory (DFT), atomistic simulations of the non-equilibrium transport properties of carbon nanotube (CNT) field-effect transistors (FETs). Results have been obtained within a self-consistent approach based on the…

We explore the electric-field effect of carbon nanotubes (NTs) in electrolytes. Due to the large gate capacitance, Fermi energy shifts of order +/- 1 V can be induced, enabling to tune NTs from p to n-type. Consequently, large resistance…

A density functional theory study of the structural and electronic properties and relative stability of fluorinated sp3 silicon nanotubes and their corresponding silicon nanowires built along various crystallographic orientations is…

We use DFT to study the effect of molecular adsorbates on the conductance of metallic carbon nanotubes. The five molecules considered (NO2, NH2, H, COOH, OH) lead to similar scattering of the electrons. The adsorption of a single molecule…

We have fabricated air-stable n-type, ambipolar carbon nanotube field effect transistors (CNFETs), and used them in nanoscale memory cells. N-type transistors are achieved by annealing of nanotubes in hydrogen gas and contacting them by…

We present a paradigm in constructing very stable, faceted nanotube and fullerene structures by laterally joining nanoribbons or patches of different planar phosphorene phases. Our ab initio density functional calculations indicate that…