Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Theoretical prediction of electronic structure and carrier mobility in single-walled MoS₂ nanotubes.

ABSTRACT: We have investigated the electronic structure and carrier mobility of armchair and zigzag single-walled MoS₂ nanotubes using density functional theory combined with Boltzmann transport method with relaxation time approximation. It is shown that armchair nanotubes are indirect bandgap semiconductors, while zigzag nanotubes are direct ones. The band gaps of single-walled MoS₂ nanotubes are along with the augment of their diameters. For armchair nanotubes (5 ≤ Na ≤ 14), the hole mobility raise from 98.62 ~ 740.93 cm(2)V(-1)s(-1) at room temperature, which is about six times of the electron mobility. For zigzag nanotubes (9 ≤ Na ≤ 15), the hole mobility is 56.61 ~ 91.32 cm(2)V(-1)s(-1) at room temperature, which is about half of the electron mobility.

SUBMITTER: Xiao J

PROVIDER: S-EPMC3948089 | biostudies-literature | 2014 Mar

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Theoretical prediction of electronic structure and carrier mobility in single-walled MoS₂ nanotubes.

Xiao Jin J Long Mengqiu M Li Xinmei X Xu Hui H Huang Han H Gao Yongli Y

Scientific reports 20140310

We have investigated the electronic structure and carrier mobility of armchair and zigzag single-walled MoS₂ nanotubes using density functional theory combined with Boltzmann transport method with relaxation time approximation. It is shown that armchair nanotubes are indirect bandgap semiconductors, while zigzag nanotubes are direct ones. The band gaps of single-walled MoS₂ nanotubes are along with the augment of their diameters. For armchair nanotubes (5 ≤ Na ≤ 14), the hole mobility raise from ...[more]

PMID: 24608863

Similar Datasets

Theoretical predictions on the electronic structure and charge carrier mobility in 2D phosphorus sheets.

Project description:We have investigated the electronic structure and carrier mobility of four types of phosphorous monolayer sheet (α-P, β-P,γ-P and δ-P) using density functional theory combined with Boltzmann transport method and relaxation time approximation. It is shown that α-P, β-P and γ-P are indirect gap semiconductors, while δ-P is a direct one. All four sheets have ultrahigh carrier mobility and show anisotropy in-plane. The highest mobility value is ~3 × 10(5) cm(2)V(-1)s(-1), which is comparable to that of graphene. Because of the huge difference between the hole and electron mobilities, α-P, γ-P and δ-P sheets can be considered as n-type semiconductors, and β-P sheet can be considered as a p-type semiconductor. Our results suggest that phosphorous monolayer sheets can be considered as a new type of two dimensional materials for applications in optoelectronics and nanoelectronic devices.

| S-EPMC4451805 | biostudies-other

Photoinduced spontaneous free-carrier generation in semiconducting single-walled carbon nanotubes.

Project description:Strong quantum confinement and low dielectric screening impart single-walled carbon nanotubes with exciton-binding energies substantially exceeding kBT at room temperature. Despite these large binding energies, reported photoluminescence quantum yields are typically low and some studies suggest that photoexcitation of carbon nanotube excitonic transitions can produce free charge carriers. Here we report the direct measurement of long-lived free-carrier generation in chirality-pure, single-walled carbon nanotubes in a low dielectric solvent. Time-resolved microwave conductivity enables contactless and quantitative measurement of the real and imaginary photoconductance of individually suspended nanotubes. The conditions of the microwave conductivity measurement allow us to avoid the complications of most previous measurements of nanotube free-carrier generation, including tube-tube/tube-electrode contact, dielectric screening by nearby excitons and many-body interactions. Even at low photon fluence (approximately 0.05 excitons per μm length of tubes), we directly observe free carriers on excitation of the first and second carbon nanotube exciton transitions.

| S-EPMC4667683 | biostudies-literature

Empirical prediction of electronic potentials of single-walled carbon nanotubes with a specific chirality (n,m).

Project description:The determination of the electronic states of single-walled carbon nanotubes (SWNTs) with a specific chirality has been a central issue in the science of SWNTs. Here we present the empirical equations with fitting parameters for the determination of the reduction and oxidation potentials of SWNTs for a wide range of diameters and chiral angles. In these equations, a distinct chirality family dependence of the reduction potentials is observed, while the oxidation potentials show a simple diameter dependence nearly proportional to the inversed nanotube diameter. Based on observations of the asymmetric chirality dependence between the reduction and oxidation potentials, the Fermi levels of the SWNTs were revealed to have a definite chirality family dependence, which indicates that the work functions of the SWNTs with small diameters deviate from the values for the large diameter SWNTs and graphene. We also performed quantum chemical calculations to compare the experiment to the calculations.

| S-EPMC3797431 | biostudies-literature

Electronic Raman scattering on individual semiconducting single walled carbon nanotubes.

Project description:We report experimental measurements of electronic Raman scattering by electrons (holes) in individual single-walled carbon nanotubes (SWNTs) under resonant conditions. The Raman scattering at low frequency range reveals a single particle excitation feature. And the dispersion of electronic structure around the center of Brillouin zone of a semiconducting SWNT (14, 13) is extracted.

| S-EPMC4122977 | biostudies-other

Long-lived electronic spin qubits in single-walled carbon nanotubes.

Project description:Electron spins in solid-state systems offer the promise of spin-based information processing devices. Single-walled carbon nanotubes (SWCNTs), an all-carbon one-dimensional material whose spin-free environment and weak spin-orbit coupling promise long spin coherence times, offer a diverse degree of freedom for extended range of functionality not available to bulk systems. A key requirement limiting spin qubit implementation in SWCNTs is disciplined confinement of isolated spins. Here, we report the creation of highly confined electron spins in SWCNTs via a bottom-up approach. The record long coherence time of 8.2 µs and spin-lattice relaxation time of 13 ms of these electronic spin qubits allow demonstration of quantum control operation manifested as Rabi oscillation. Investigation of the decoherence mechanism reveals an intrinsic coherence time of tens of milliseconds. These findings evident that combining molecular approaches with inorganic crystalline systems provides a powerful route for reproducible and scalable quantum materials suitable for qubit applications.

| S-EPMC9932135 | biostudies-literature

Ultrafast lattice and electronic dynamics in single-walled carbon nanotubes.

Project description:Understanding the photoinduced ultrafast structural transitions and electronic dynamics in single-walled carbon nanotubes (SWCNTs) is important for the development of SWCNT-based optoelectronic devices. In this study, we conducted femtosecond-resolved electron diffraction and electron energy-loss spectroscopy (EELS) measurements on SWCNTs using ultrafast transmission electron microscopy. The experimental results demonstrated that dominant time constants of the dynamic processes were ∼1.4 ps for electron-driven lattice expansion, ∼17.4 ps for thermal phonon-driven lattice expansion associated with electron-phonon coupling. The time-resolved EELS measurements clearly revealed a notable red shift of plasmon peaks by ∼100 meV upon femtosecond laser excitation. Different features of charge carrier excitation and relaxation were carefully discussed in correlation with the lattice dynamics and photoinduced absorption signals of SWCNTs. Our results provide a comprehensive understanding of the ultrafast dynamics in SWCNTs and powerful techniques to characterize the dynamics of low-dimensional structures.

| S-EPMC9419500 | biostudies-literature

Single-Walled Carbon Nanotubes Encapsulated within Metallacycles.

Project description:Mechanically interlocked derivatives of carbon nanotubes (MINTs) are interesting nanotube products since they show high stability without altering the carbon nanotube structure. So far, MINTs have been synthesized using ring-closing metathesis, disulfide exchange reaction, H-bonding or direct threading with macrocycles. Here, we describe the encapsulation of single-walled carbon nanotubes within a palladium-based metallosquare. The formation of MINTs was confirmed by a variety of techniques, including high-resolution transmission electron microscopy. We find the making of these MINTs is remarkably sensitive to structural variations of the metallo-assemblies. When a metallosquare with a cavity of appropriate shape and size is used, the formation of the MINT proceeds successfully by both templated clipping and direct threading. Our studies also show indications on how supramolecular coordination complexes can help expand the potential applications of MINTs.

| S-EPMC9544689 | biostudies-literature

General synthesis of inorganic single-walled nanotubes.

Project description:The single-walled nanotube (SWNT) is an interesting nanostructure for fundamental research and potential applications. However, very few inorganic SWNTs are available to date due to the lack of efficient fabrication methods. Here we synthesize four types of SWNT: sulfide; hydroxide; phosphate; and polyoxometalate. Each type of SWNT possesses essentially uniform diameters. Detailed studies illustrate that the formation of SWNTs is initiated by the self-coiling of the corresponding ultrathin nanostructure embryo/building blocks on the base of weak interactions between them, which is not limited to specific compounds or crystal structures. The interactions between building blocks can be modulated by varying the solvents used, thus multi-walled tubes can also be obtained. Our results reveal that the generalized synthesis of inorganic SWNTs can be achieved by the self-coiling of ultrathin building blocks under the proper weak interactions.

| S-EPMC4640082 | biostudies-literature

Sorting centimetre-long single-walled carbon nanotubes.

Project description:While several approaches have been developed for sorting metallic (m) or semiconducting (s) single-walled carbon nanotubes (SWCNTs), the length of SWCNTs is limited within a micrometer, which restricts excellent electrical performances of SWCNTs for macro-scale applications. Here, we demonstrate a simple sorting method of centimetre-long aligned m- and s-SWCNTs. Ni particles were selectively and uniformly coated along the 1-cm-long m-SWCNTs by applying positive gate bias during electrochemical deposition with continuous electrolyte injection. To sort s-SWCNTs, the Ni coating was oxidized to form insulator outer for blocking of current flow through inner m-SWCNTs. Sorting of m-SWCNTs were demonstrated by selective etching of s-SWCNTs via oxygen plasma, while the protected m-SWCNTs by Ni coating remained intact. The series of source-drain pairs were patterned along the 1-cm-long sorted SWCNTs, which confirmed high on/off ratio of 10(4)-10(8) for s-SWCNTs and nearly 1 for m-SWCNTs.

| S-EPMC4967858 | biostudies-literature

Single Walled BiI<sub>3</sub> Nanotubes Encapsulated within Carbon Nanotubes.

Project description:Inorganic nanotubes are morphological counterparts of carbon nanotubes (CNTs). Yet, only graphene-like BN layer has been readily organized into single walled nanotubes so far. In this study, we present a simple route to obtain inorganic single walled nanotubes - a novel ultrathin morphology for bismuth iodide (BiI3), embedded within CNTs. The synthesis involves the capillary filling of BiI3 into CNT, which acts as a nanotemplate, by annealing the BiI3-CNT mixture above the melting point of BiI3. Aberration corrected scanning/transmission electron microscopy is used in characterizing the novel morphology of BiI3. A critical diameter which enables the formation of BiI3 nanotubes, against BiI3 nanorods is identified. The relative stability of these phases is investigated with the density functional theory calculations. Remarkably, the calculations reveal that the single walled BiI3 nanotubes are semiconductors with a direct band gap, which remain stable even without the host CNTs.

| S-EPMC6031677 | biostudies-literature

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

Tweets

OmicsDI Databases

PRIDE
PeptideAtlas
MassIVE
JPOST Repository
Physiome Model Repository

EGA
EVA
ENA
LINCS
PAXDB
Cell Collective

MetaboLights
Metabolomics Workbench
MetabolomeExpress
GNPS
BioModels
FAIRDOMHub

ArrayExpress
dbGaP
ExpressionAtlas
GEO
NODE

Information

Databases
Help
API
Contact us
Code on GitHub
Terms of use
Submit Data