Theoretical study of oxidation of monovacancies in hexagonal boron nitride (h-BN) sheet by oxygen molecules
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Summary
By performing density functional theory (DFT) calculations, the oxidation of monovacancies in hexagonal boron nitride (h-BN) sheet by oxygen molecules is studied to provide guidance to experimentally study the behavior of h-BN sheet under exposure to the oxygen plasma, which is necessary to estimate its stability in air.
- Type
- article
- Published
- 2014-03-20
- Cited by
- 17
- References
- 28
- OpenAlex
- https://openalex.org/W24647819
- Semantic Scholar
- https://api.semanticscholar.org/CorpusID:9863960
Keywords
Business, Health services, Process management, Knowledge management, Public relations
References
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- SPECIAL POINTS FOR BRILLOUIN-ZONE INTEGRATIONS
- Theoretical study of size-dependent properties of BN nanotubes with intrinsic defects
- Electric Field Effect in Atomically Thin Carbon Films
- Magnetic properties of vacancies in a graphitic boron nitride sheet by first-principles pseudopotential calculations
- Catalyst-free achieving of controllable carbon doping of boron nitride nanosheets by CO molecules: a theoretical prediction
- Bonded-atom fragments for describing molecular charge densities
- First-principles approach to monitoring the band gap and magnetic state of a graphene nanoribbon via its vacancies
- Selective sputtering and atomic resolution imaging of atomically thin boron nitride membranes.
Cited by
- Stability and electronic structure of iron nanoparticle anchored on defective hexagonal boron nitrogen nanosheet: A first-principle study
- Quantum Light in Curved Low Dimensional Hexagonal Boron Nitride Systems
- Effect of mono-vacant defects on the opto-electronic properties of ionic liquid functionalized hexagonal boron-nitride nanosheets
- Defect states in hexagonal boron nitride: Assignments of observed properties and prediction of properties relevant to quantum computation
- h-BN Defective Layers as Giant N-Donor Macrocycles for Cu Adatom Trapping from the Underlying Metal Substrate
- Density-functional-theory calculations of structural and electronic properties of vacancies in monolayer hexagonal boron nitride (h-BN)
- Single-photon emitters in hexagonal boron nitride: a review of progress
- Identification of defects responsible for optically detected magnetic resonance in hexagonal boron nitride
- In-plane modification of hexagonal boron nitride particles via plasma in solution
- Theoretical spectroscopy of the VNNB defect in hexagonal boron nitride
- Density functionals with asymptotic-potential corrections are required for the simulation of spectroscopic properties of defects in materials
- Photoluminescence, photophysics, and photochemistry of the VB− defect in hexagonal boron nitride
- Convergence of Defect Energetics Calculations
- Edge effects on optically detected magnetic resonance of vacancy defects in hexagonal boron nitride
- Carbon Nanotubes Modified by Multi-Heteroatoms Polymer for Oxidative Dehydrogenation of Propane: Improvement of Propene Selectivity and Oxidation Resistance
- Surface-Driven Electrostatic, Luminescent, and Paramagnetic Features of Freshly Synthesized BN Nanopowders Under Concentrated Light
- Effect of Surface on Tuning the Properties of Platelet‐Like h‐BN Nanopowder via Oxidation
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