AI Article Synopsis
- The study focuses on the energetics and electronic structures of triangular-shaped hexagonal boron nitride (h-BN) nanoflakes, specifically looking at how their properties change with hydrogenated edges and different edge atom species.
- Results indicate that hydrogenated h-BN nanoflakes tend to favor nitrogen (N) edges over boron (B) edges, regardless of their size, affecting their electronic structure.
- Nanoflakes with N edges have a narrower energy gap between unoccupied and occupied states compared to those with B edges, and they exhibit unique spin polarization characteristics based on the type of edge atom when subjected to hole or electron doping.
Article Abstract
We studied the energetics and electronic structures of hexagonal boron nitrogen (h-BN) nanoflakes with hydrogenated edges and triangular shapes with respect to the edge atom species. Our calculations clarified that the hydrogenated h-BN nanoflakes with a triangular shape prefer the N edges rather than B edges irrespective of the flake size. The electronic structure of hydrogenated h-BN nanoflakes depends on the edge atom species and their flake size. The energy gap between the lowest unoccupied (LU) and the highest occupied (HO) states of the nanoflakes with N edges is narrower than that of the nanoflakes with B edges and the band gap of h-BN. The nanoflakes possess peculiar non-bonding states around their HO and LU states for the N and B edges, respectively, which cause spin polarization under hole or electron doping, depending on the edge atom species.
Download full-text PDF |
Source |
|---|---|
| http://www.ncbi.nlm.nih.gov/pmc/articles/PMC6226470 | PMC |
| http://dx.doi.org/10.1038/s41598-018-34874-x | DOI Listing |
Publication Analysis
Top Keywords
Similar Publications
Facile Strategy for Boosting of Inorganic Fillers Retention in Paper.
Polymers (Basel)
December 2023
Department of Nanomaterials Physicochemistry, Faculty of Chemical Technology and Engineering, West Pomeranian University of Technology in Szczecin, Piastow Ave. 45, 70-311 Szczecin, Poland.
Achieving the desired properties of paper such as strength, durability, and printability remains challenging. Paper mills employ calcium carbonate (CaCO) as a filler to boost paper's brightness, opacity, and printability. However, weak interaction between cellulose fibers and CaCO particles creates different issues in the papermaking industry.
View Article and Find Full Text PDFMicroglia Polarization and Antiglioma Effects Fostered by Dual Cell Membrane-Coated Doxorubicin-Loaded Hexagonal Boron Nitride Nanoflakes.
ACS Appl Mater Interfaces
December 2023
Smart Bio-Interfaces, Istituto Italiano di Tecnologia, Viale Rinaldo Piaggio 34, Pontedera, Pisa 56025, Italy.
Microglial cells play a critical role in glioblastoma multiforme (GBM) progression, which is considered a highly malignant brain cancer. The activation of microglia can either promote or inhibit GBM growth depending on the stage of the tumor development and on the microenvironment conditions. The current treatments for GBM have limited efficacy; therefore, there is an urgent need to develop novel and efficient strategies for drug delivery and targeting: in this context, a promising strategy consists of using nanoplatforms.
View Article and Find Full Text PDFSandwiched Epitaxy Growth of 2D Single-Crystalline Hexagonal Bismuthene Nanoflakes for Electrocatalytic CO Reduction.
Nano Lett
November 2023
State Key Laboratory of Coordination Chemistry, MOE Key Laboratory of Mesoscopic Chemistry, MOE Key Laboratory of High Performance Polymer Materials and Technology, Jiangsu Key Laboratory of Advanced Organic Materials, School of Chemistry and Chemical Engineering, Nanjing University, Nanjing, Jiangsu 210023, P. R. China.
Two-dimensional (2D) bismuthene is predicted to possess intriguing physical properties, but its preparation remains challenging due to the high surface energy constraint. Herein, we report a sandwiched epitaxy growth strategy for the controllable preparation of 2D bismuthene between a Cu foil substrate and a -BN covering layer. The top -BN layer plays a crucial role in suppressing the structural transformation of bismuthene and compensating for the charge transfer from the bismuthene to the Cu(111) surface.
View Article and Find Full Text PDFSurface engineering of two-dimensional hexagonal boron-nitride for optoelectronic devices.
Nanoscale
October 2023
Institut National de la Recherche Scientifique, Centre Énergie, Matériaux et Télécommunications, 1650 Boul. Lionel Boulet, Varennes, J3X 1P7, QC, Canada.
Two-dimensional hexagonal boron nitride (2D h-BN) is being extensively studied in optoelectronic devices due to its electronic and photonic properties. However, the controlled optimization of h-BN's insulating properties is necessary to fully explore its potential in energy conversion and storage devices. In this work, we engineered the surface of h-BN nanoflakes one-step chemical functionalization using a liquid-phase exfoliation approach.
View Article and Find Full Text PDFUncovering the Role of Crystal Phase in Determining Nonvolatile Flash Memory Device Performance Fabricated from MoTe-Based 2D van der Waals Heterostructures.
ACS Appl Mater Interfaces
July 2023
Department of Electrical Engineering, City University of Hong Kong, Kowloon 999077, Hong Kong SAR, China.
Although the crystal phase of two-dimensional (2D) transition metal dichalcogenides (TMDs) has been proven to play an essential role in fabricating high-performance electronic devices in the past decade, its effect on the performance of 2D material-based flash memory devices still remains unclear. Here, we report the exploration of the effect of MoTe in different phases as the charge-trapping layer on the performance of 2D van der Waals (vdW) heterostructure-based flash memory devices, where a metallic 1T'-MoTe or semiconducting 2H-MoTe nanoflake is used as the floating gate. By conducting comprehensive measurements on the two kinds of vdW heterostructure-based devices, the memory device based on MoS/h-BN/1T'-MoTe presents much better performance, including a larger memory window, faster switching speed (100 ns), and higher extinction ratio (10), than that of the device based on the MoS/h-BN/2H-MoTe heterostructure.
View Article and Find Full Text PDFWant AI Summaries of new PubMed Abstracts delivered to your In-box?
Enter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!