Browse
Submit Data
Databases
API
Help

Dataset Information

22 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

New 2D Structural Materials: Carbon-Gallium Nitride (CC-GaN) and Boron-Gallium Nitride (BN-GaN) Heterostructures-Materials Design Through Density Functional Theory.

ABSTRACT: New class of ternary nanohetrostructures have been proposed by mixing 2D gallium nitride (GaN) with graphene and 2D hexagonal boron nitride (BN) with an aim towards desgining innovative 2D materials for applications in electronics and other industries. The structural stability and electronic properties of these nanoheterostructures have been analyzed using first-principles based calculations done in the framework of density functional theory. Different structure patterns have been analyzed to identify the most stable structures. It is found to be more energetically favorable that the carbon atoms occupy the positions of the nitrogen atoms in a clustered pattern in CC-GaN heterostructures, whereas boron doping is preferred in the reverse order, where isolated BN and GaN layered configurations are preferred in BN-GaN heterostructures. These 2D nanoheterostructures are energetically favored materials with direct band gap and have potential application in nanoscale semiconducting and nanoscale optoelectronic devices.

SUBMITTER: Elloh VW

PROVIDER: S-EPMC6647944 | biostudies-literature |

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Similar Datasets

Boron Nitride-Titania Mesoporous Film Heterostructures.

Project description:The fabrication of optically active heterostructures in the shape of mesostructured thin films is a highly challenging task. It requires an integrated process to allow in one-step incorporating the two-dimensional materials within the mesoporous ordered host without disrupting the pore organization. Hexagonal boron nitride (BN) nanosheets have been successfully introduced into titania mesoporous films using a template-assisted sol-gel synthesis and evaporation-induced self-assembly. Two types of BN sheets have been used, with and without defects, to investigate the role of defects in heterostructure properties. It has been found that the defects increase the ultraviolet radiation A (UVA) absorbance and enhance the photocatalytic response of the film. The BN sheets are optically transparent and do not exhibit any photocatalytic property but contribute to anatase crystallization via heterogeneous nucleation.

| S-EPMC8280735 | biostudies-literature

Chemisorption of Hydroxide on 2D Materials from DFT Calculations: Graphene versus Hexagonal Boron Nitride.

Project description:Recent nanofluidic experiments revealed strongly different surface charge measurements for boron-nitride (BN) and graphitic nanotubes when in contact with saline and alkaline water (Nature 2013, 494, 455-458; Phys. Rev. Lett. 2016, 116, 154501). These observations contrast with the similar reactivity of a graphene layer and its BN counterpart, using density functional theory (DFT) framework, for intact and dissociative adsorption of gaseous water molecules. Here we investigate, by DFT in implicit water, single and multiple adsorption of anionic hydroxide on single layers. A differential adsorption strength is found in vacuum for the first ionic adsorption on the two materials-chemisorbed on BN while physisorbed on graphene. The effect of implicit solvation reduces all adsorption values, resulting in a favorable (nonfavorable) adsorption on BN (graphene). We also calculate a pKa ≃ 6 for BN in water, in good agreement with experiments. Comparatively, the unfavorable results for graphene in water echo the weaker surface charge measurements but point to an alternative scenario.

| S-EPMC5360233 | biostudies-literature

Biaxial compressive strain engineering in graphene/boron nitride heterostructures.

Project description:Strain engineered graphene has been predicted to show many interesting physics and device applications. Here we study biaxial compressive strain in graphene/hexagonal boron nitride heterostructures after thermal cycling to high temperatures likely due to their thermal expansion coefficient mismatch. The appearance of sub-micron self-supporting bubbles indicates that the strain is spatially inhomogeneous. Finite element modeling suggests that the strain is concentrated on the edges with regular nano-scale wrinkles, which could be a playground for strain engineering in graphene. Raman spectroscopy and mapping is employed to quantitatively probe the magnitude and distribution of strain. From the temperature-dependent shifts of Raman G and 2D peaks, we estimate the TEC of graphene from room temperature to above 1000K for the first time.

| S-EPMC3506982 | biostudies-literature

Extremely large magnetoresistance in few-layer graphene/boron-nitride heterostructures.

Project description:Understanding magnetoresistance, the change in electrical resistance under an external magnetic field, at the atomic level is of great interest both fundamentally and technologically. Graphene and other two-dimensional layered materials provide an unprecedented opportunity to explore magnetoresistance at its nascent stage of structural formation. Here we report an extremely large local magnetoresistance of ∼2,000% at 400 K and a non-local magnetoresistance of >90,000% in an applied magnetic field of 9 T at 300 K in few-layer graphene/boron-nitride heterostructures. The local magnetoresistance is understood to arise from large differential transport parameters, such as the carrier mobility, across various layers of few-layer graphene upon a normal magnetic field, whereas the non-local magnetoresistance is due to the magnetic field induced Ettingshausen-Nernst effect. Non-local magnetoresistance suggests the possibility of a graphene-based gate tunable thermal switch. In addition, our results demonstrate that graphene heterostructures may be promising for magnetic field sensing applications.

| S-EPMC4595716 | biostudies-literature

Achieving Boron-Carbon-Nitrogen Heterostructures by Collision Fusion of Carbon Nanotubes and Boron Nitride Nanotubes.

Project description:Heterostructures may exhibit completely new physical properties that may be otherwise absent in their individual component materials. However, how to precisely grow or assemble desired complex heterostructures is still a significant challenge. In this work, the collision dynamics of a carbon nanotube and a boron nitride nanotube under different collision modes were investigated using the self-consistent-charge density-functional tight-binding molecular dynamics method. The energetic stability and electronic structures of the heterostructure after collision were calculated using the first-principles calculations. Five main collision outcomes are observed, that is, two nanotubes can (1) bounce back, (2) connect, (3) fuse into a defect-free BCN heteronanotube with a larger diameter, (4) form a heteronanoribbon of graphene and hexagonal boron nitride and (5) create serious damage after collision. It was found that both the BCN single-wall nanotube and the heteronanoribbon created by collision are the direct band-gap semiconductors with the band gaps of 0.808 eV and 0.544 eV, respectively. These results indicate that collision fusion is a viable method to create various complex heterostructures with new physical properties.

| S-EPMC10254723 | biostudies-literature

Sustainable Synthesis of Highly Biocompatible 2D Boron Nitride Nanosheets.

Project description:2D ultrafine nanomaterials today represent an emerging class of materials with very promising properties for a wide variety of applications. Biomedical fields have experienced important new achievements with technological breakthroughs obtained from 2D materials with singular properties. Boron nitride nanosheets are a novel 2D layered material comprised of a hexagonal boron nitride network (BN) with interesting intrinsic properties, including resistance to oxidation, extreme mechanical hardness, good thermal conductivity, photoluminescence, and chemical inertness. Here, we investigated different methodologies for the exfoliation of BN nanosheets (BNNs), using ball milling and ultrasound processing, the latter using both an ultrasound bath and tip sonication. The best results are obtained using tip sonication, which leads to the formation of few-layered nanosheets with a narrow size distribution. Importantly, it was observed that with the addition of pluronic acid F127 to the medium, there was a significant improvement in the BN nanosheets (BNNs) production yield. Moreover, the resultant BNNs present improved stability in an aqueous solution. Cytotoxicity studies performed with HeLa cells showed the importance of taking into account the possible interferences of the nanomaterial with the selected assay. The prepared BNNs coated with pluronic presented improved cytotoxicity at concentrations up to 200 μg mL-1 with more than 90% viability after 24 h of incubation. Confocal microscopy also showed high cell internalization of the nanomaterials and their preferential biodistribution in the cell cytoplasm.

| S-EPMC9775030 | biostudies-literature

Exfoliation of Hexagonal Boron Nitride (h-BN) in Liquide Phase by Ion Intercalation.

Project description:A green approach to prepare exfoliated hexagonal boron nitride nanosheets (h-BNNS) from commercially pristine h-BN involving a two-step procedure was investigated. The first step involves the dispersion of pristine h-BN within an aqueous solution containing gelatin and potassium or zinc chloride using a sonication method. The second involves the removal of larger exfoliated h-BNNS through a centrifugation procedure. The exfoliation was caused not only by the sonication effect but also by intercalation of K⁺ and Zn2+ ions. Transmission electronic microscopy, X-ray diffraction and Raman spectroscopy techniques show that the obtained h-BNNS generally display a thickness of about a few (2⁻3) layers with an exfoliation efficiency as high as 16.3 ± 0.4%.

| S-EPMC6165242 | biostudies-literature

Ultrahard stitching of nanotwinned diamond and cubic boron nitride in C2-BN composite.

Project description:Materials combining the hardness and strength of diamond with the higher thermal stability of cubic boron nitride (cBN) have broad potential value in science and engineering. Reacting nanodiamond with cBN at moderate pressures and high temperatures provides a pathway to such materials. Here we report the fabrication of Cx-BN nanocomposites, measuring up to 10 mm in longest dimension, by reacting nanodiamond with pre-synthesized cBN in a large-volume press. The nanocomposites consist of randomly-oriented diamond and cBN domains stitched together by sp(3)-hybridized C-B and C-N bonds, leading to p-type semiconductivity. Dislocations near the sutures accommodate lattice mismatch between diamond and cBN. Nanotwinning within both diamond and cBN domains further contributes to a bulk hardness ~50% higher than sintered cBN. The nanocomposite of C2-BN exhibits p-type semiconductivity with low activation energy and high thermal stability, making it a functional, ultrahard substance.

| S-EPMC4962311 | biostudies-literature

Two dimensional (2D) reduced graphene oxide (RGO)/hexagonal boron nitride (h-BN) based nanocomposites as anodes for high temperature rechargeable lithium-ion batteries.

Project description:With lithium-ion (li-ion) batteries as energy storage devices, operational safety from thermal runaway remains a major obstacle especially for applications in harsh environments such as in the oil industry. In this approach, a facile method via microwave irradiation technique (MWI) was followed to prepare Co3O4/reduced graphene oxide (RGO)/hexagonal boron nitride (h-BN) nanocomposites as anodes for high temperature li-ion batteries. Results showed that the addition of h-BN not only enhanced the thermal stability of Co3O4/RGO nanocomposites but also enhanced the specific surface area. Co3O4/RGO/h-BN nanocomposites displayed the highest specific surface area of 191 m2/g evidencing the synergistic effects between RGO and h-BN. Moreover, Co3O4/RGO/h-BN also displayed the highest specific capacity with stable reversibility on the high performance after 100 cycles and lower internal resistance. Interestingly, this novel nanocomposite exhibits outstanding high temperature performances with excellent cycling stability (100% capacity retention) and a decreased internal resistance at 150 °C.

| S-EPMC7002573 | biostudies-literature

Spontaneous ssDNA stretching on graphene and hexagonal boron nitride in plane heterostructures.

Project description:Single-stranded DNA (ssDNA) molecules in solution typically form coiled structures, therefore stretching ssDNA is extremely crucial before applying any nanotechnology for ssDNA analysis. Recent advances in material fabrication enable the deployment of nanochannels to manipulate, stretch, sort and map double-stranded DNA (dsDNA) molecules, however nanochannels fail to stretch ssDNA molecules due to the ultra-short persistence length and the potential nonspecific-interaction-induced clogging. Given the significance of ssDNA stretching in genome analysis, here we report an ssDNA stretching platform: two dimensional in-plane heterostructure comprising graphene and hexagonal boron nitride (h-BN), and show that ssDNA can be stretched on a h-BN nanostripe sandwiched between two adjacent graphene domains ("nanochannel"). We further show that with a biasing voltage the stretched ssDNA can be electrophoretically transported along the "nanochannel", allowing easy controls/manipulations. When being conveniently integrated with existing atomic resolution sensors, the heterostructure platform paves the way for sequencing DNA on a planar surface.

| S-EPMC6787186 | 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