Results 41 to 50 of about 19,499 (187)

Are hemispherical caps of boron-nitride nanotubes possible?

, 2004
We report all-electron, density-functional calculations with large Gaussian polarization basis set of the recently synthesized octahedral B24N24 cage that is perfectly round by symmetry, and boron-nitride (BN) clusters that its existence might suggest ...
Andzelm, Andzelm, Becke, Blase, Blase, Brett I Dunlap, Dunlap, Dunlap, Dunlap, Dunlap, Dunlap, Dunlap, Dunlap, Eichkorn, Fowler, Fujita, Godbout, Haddon, Harrison, Haymet, Iijima, Kohn, Kroto, Mintmire, Oku, Press, Rajendra R Zope, Schmalz, Schwarz, Sun, Terrones, Thess, Vauthier, Veillard, Zhu   +34 more
core   +1 more source

A Brief Review on Syntheses, Structures and Applications of Nanoscrolls [PDF]

, 2014
Nanoscrolls are papyrus-like nanostructures which present unique properties due to their open ended morphology. These properties can be exploited in a plethora of technological applications, leading to the design of novel and interesting devices.
Galvao, D. S., Machado, L. D., Perim, E.
core   +3 more sources

Electronic properties of sculpturenes

New Journal of Physics, 2014
We investigate the electronic properties of sculpturenes , formed by sculpting selected shapes from bilayer graphene, boron nitride or graphene–boron nitride hetero-bilayers and allowing the shapes to spontaneously reconstruct.
Laith Algharagholy, Thomas Pope, Steven W D Bailey, Colin J Lambert   +3 more
doaj   +1 more source

Electronic Properties of Boron and Nitrogen doped graphene: A first principles study

, 2012
Effect of doping of graphene either by Boron (B), Nitrogen (N) or co-doped by B and N is studied using density functional theory. Our extensive band structure and density of states calculations indicate that upon doping by N (electron doping), the Dirac ...
AK Geim, HJ Monkhorst, KS Novoselov, KS Novoselov, L Ci, LS Panchkarla, P Giannozzi, SS Yu, Sugata Mukherjee, T. P. Kaloni, TB Martins, TP Kaloni, TP Kaloni, TP Kaloni, TP Kaloni, TP Kaloni, TP Kaloni, U Barth von, WH Brito, X Wang, X Wei, Y Fan, YC Cheng   +22 more
core   +1 more source

Theoretical study on interaction of hydrogen with single-walled boron nitride nanotubes. II. Collision, storage, and adsorption [PDF]

, 2005
Collision and adsorption of hydrogen with high incident kinetic energies on a single-walled boron nitride (BN) nanotube have been investigated. Molecular-dynamics (MD) simulations indicate that at incident energies below 14 eV hydrogen bounces off the BN
Goddard, William A., III, Han, Sang Soo, Kang, Jeung Ku, Lee, Hyuck Mo, van Duin, Adri C. T.   +4 more
core   +1 more source

Boron Nitride Monolayer: A Strain-Tunable Nanosensor

, 2013
The influence of triaxial in-plane strain on the electronic properties of a hexagonal boron-nitride sheet is investigated using density functional theory.
A. Sadeghi, Alem N., Aradi B., Begliarbekov M., Beheshtian J., Blase X., Britnell L., Collins P. G., Di Francia G., Ding Y., F. M. Peeters, Frisch M. J., Fukui K., Guinea F., Hu M., Hämäläinen S. K., Ishigami M., J. Beheshtian, Jia X., K. H. Michel, Khoo K. H., Kong J., Levy N., Lukose B., M. Neek-Amal, Michel K. H., Nakamura J., Naumov I., Neek-Amal M., Pacilé D., Park C.-H., Peng Q., Peng Q., Plimpton S., Sai N., Sevik C., Singh S. K., Teague M., Wang Y., Watanabe K., Zheng F.   +40 more
core   +1 more source

Exciton and interband optical transitions in hBN single crystal [PDF]

, 2011
Near band gap photoluminescence (PL) of hBN single crystal has been studied at cryogenic temperatures with synchrotron radiation excitation. The PL signal is dominated by the D-series previously assigned to excitons trapped on structural defects.
Attal-Trétout, Brigitte, Barjon, Julien, Brasse, Gurvan, Ducastelle, François, Kanaev, Andreï, Loiseau, Annick, Maine, Sylvain, Museur, Luc, Pierret, Aurélie, Taniguchi, Takashi, Watanabe, Kenji   +10 more
core   +2 more sources

Topology, connectivity and electronic structure of C and B cages and the corresponding nanotubes

, 2003
After a brief discussion of the structural trends which appear with increasing number of atoms in B cages, a one-to one correspondence between the connectivity of B cages and C cage structures will be proposed.
Amovilli, C., Leys, F. E., March, N. H.
core   +1 more source

Structure and Raman Spectra of C60 and C70 Fullerenes Encased into Single-Walled Boron Nitride Nanotubes: A Theoretical Study

Crystals, 2018
We report the structures and the nonresonant Raman spectra of hybrid systems composed of carbon fullerenes ( C 60 and C 70 ) encased within single walled boron nitride nanotube.
Brahim Fakrach, Fatima Fergani, Mourad Boutahir, Abdelhai Rahmani, Hassane Chadli, Patrick Hermet, Abdelali Rahmani   +6 more
doaj   +1 more source

A Simple Method for the Synthesis of a Coral-like Boron Nitride Micro-/Nanostructure Catalyzed by Fe

Nanomaterials, 2023
Catalyzed by Fe, novel a coral-like boron nitride (BN) micro-/nanostructure was synthesized from B2O3 by a ball milling and annealing process. Observations of the morphology of the product indicated that the coral-like BN micro-/nanostructure consists of
Yanjiao Li, Xueren Wang, Jian Wang, Xinfeng Wang, Dejun Zeng   +4 more
doaj   +1 more source