Graphitic-BN Based Metal-free Molecular Magnets From A First Principle Study
, 2005 We perform a first principle calculation on the electronic properties of carbon doped graphitic boron nitride graphitic BN. It was found that carbon substitution for either boron or nitrogen atom in graphitic BN can induce spontaneous magnetization ...
Chopra N G +7 more
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Nanoscale Dielectric Capacitors Composed of Graphene and Boron Nitride Layers: A First Principles Study of High-Capacitance at Nanoscale [PDF]
, 2013 We investigate a nanoscale dielectric capacitor model consisting of two-dimensional, hexagonal h-BN layers placed between two commensurate and metallic graphene layers using self-consistent field density functional theory. The separation of equal amounts
Ciraci, S., Özçelik, V. Ongun
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Study of Uniaxial Tensile Properties of Hexagonal Boron Nitride Nanoribbons
, 2017 Uniaxial tensile properties of hexagonal boron nitride nanoribbons and dependence of these properties on temperature, strain rate, and the inclusion of vacancy defects have been explored with molecular dynamics simulations using Tersoff potential.
Dhar, Rajkumar +5 more
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Conversion from carbon nanotubes to boron nitride nanotubes and boron nitride-carbon nanotubes [PDF]
, 2019 MASTER OF ENGINEERING (EEE)
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Journal of Microwaves, Optoelectronics and Electromagnetic ApplicationsThe pristine boron nitride nanotubes have a large direct band gap around 5 eV. This band gap can be engineered by doping. We investigate electronic structure of the doped hexagonal boron nitride (5,5) nanotubes using the linearized augmented cylindrical ...
Fernando Gomes +2 more
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Inorganic Graphenylene: A Porous Two-Dimensional Material With Tunable Band Gap
, 2014 By means of ab initio calculations we investigate the possibility of existence of a boron nitride (BN) porous two-dimensional nanosheet which is geometrically similar to the carbon allotrope known as biphenylene carbon.
Atreto, Pedro Alves da Silva +3 more
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DFT Study on Structural and Mechanical Properties of Single-walled Carbon and Boron Nitride Nanotubes Functionalized with Carbenes [PDF]
Журнал нано- та електронної фізики, 2016 This paper presents quantum chemistry study on structural and mechanical properties of a series of single-walled carbon nanotubes (SWCNTs) and boron nitride nanotubes (BNNTs) functionalized with carbenes.
I.K. Petrushenko
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Spontaneous polarization and piezoelectricity in boron nitride nanotubes
, 2003 Ab initio calculations of the spontaneous polarization and piezoelectric properties of boron nitride nanotubes show that they are excellent piezoelectric systems with response values larger than those of piezoelectric polymers.
Bernholc, J. +4 more
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Inorganic Fullerene-Like Nanoparticles and Inorganic Nanotubes
Inorganics, 2014 Fullerene-like nanoparticles (inorganic fullerenes; IF) and nanotubes of inorganic layered compounds (inorganic nanotubes; INT) combine low dimensionality and nanosize, enhancing the performance of corresponding bulk counterparts in their already known ...
Reshef Tenne, Andrey N. Enyashin
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Ultrafast relaxation of hot phonons in Graphene-hBN Heterostructures
, 2017 Fast carrier cooling is important for high power graphene based devices. Strongly Coupled Optical Phonons (SCOPs) play a major role in the relaxation of photoexcited carriers in graphene.
Brasington, Alexandra +3 more
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