A path for synthesis of boron-nitride nanostructures in volume of arc plasma

Han, Longtao; Krstić, Predrag

doi:10.1088/1361-6528/aa5653

A path for synthesis of boron-nitride nanostructures in volume of arc plasma

Journal Article · Wed Jan 11 23:00:00 EST 2017 · Nanotechnology

DOI:https://doi.org/10.1088/1361-6528/aa5653· OSTI ID:1565600

Han, Longtao ^[1]; Krstić, Predrag ^[1]

Stony Brook Univ., NY (United States). Inst. for Advanced Computational Science and Dept. of Materials Science and Engineering

We find a possible channel for direct nanosynthesis of boron-nitride (BN) nanostructures, including growth of BN nanotubes from a mixture of BN diatomic molecules by quantum–classical molecular dynamics simulations. No catalyst or boron nanoparticle is needed for this synthesis, however the conditions for the synthesis of each of the nanostructures, such as temperature and flux of the BN feedstock are identified and are compatible with the conditions in an electric arc at high pressure. We also find that BN nanostructures can be synthetized by feeding a boron nanoparticle by BN diatomic molecules, however if hydrogen rich molecules like NH3 or HBNH are used as a feedstock, two-dimensional nanoflake stable structures are formed.

Research Organization:: Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States). Oak Ridge Leadership Computing Facility (OLCF)

Sponsoring Organization:: USDOE Office of Science

OSTI ID:: 1565600

Journal Information:: Nanotechnology, Journal Name: Nanotechnology Journal Issue: 7 Vol. 28; ISSN 0957-4484

Publisher:: IOP Publishing

Country of Publication:: United States

Language:: English

References (30)

Formation and structures of B36N36 and Y@B36N36 clusters studied by high-resolution electron microscopy and mass spectrometry Oku, Takeo; Narita, Ichihito; Nishiwaki, Atsushi Journal of Physics and Chemistry of Solids, Vol. 65, Issue 2-3 https://doi.org/10.1016/j.jpcs.2003.09.010	journal	March 2004
Possible mechanism of BN fullerene formation from a boron cluster: Density-functional tight-binding molecular dynamics simulations: Possible Mechanism of BN Fullerene Formation from a Boron Cluster Ohta, Y. Journal of Computational Chemistry, Vol. 37, Issue 10 https://doi.org/10.1002/jcc.24287	journal	January 2016
Square, Pentagon, and Heptagon Rings at BN Nanotube Tips Saito, Yahachi; Maida, Masatomo The Journal of Physical Chemistry A, Vol. 103, Issue 10 https://doi.org/10.1021/jp983510c	journal	March 1999
A novel precursor for synthesis of pure boron nitride nanotubesElectronic supplementary information (ESI) available: (a) experimental apparatus and details; (b) Fig. S2, XRD pattern of BN nanotubes; (c) XRD pattern of the product formed by dispersive Mg at the surface of the graphite susceptor; (d) Fig. S4, EELS spectrum of BN nanotubes; (e) Fig. S5, selected-area electron diffraction; (f) Fig. S6, EDS analysis of open tip. See http://www.rsc.org/suppdata/cc/b2/b202177c/ Tang, Chengchun; Bando, Yoshio; Sato, Tadao Chemical Communications, Issue 12 https://doi.org/10.1039/b202177c	journal	May 2002
Catalyst-free synthesis of boron nitride single-wall nanotubes with a preferred zig-zag configuration Lee, R. S.; Gavillet, J.; Chapelle, M. Lamy de la Physical Review B, Vol. 64, Issue 12 https://doi.org/10.1103/PhysRevB.64.121405	journal	September 2001
Self-consistent-charge density-functional tight-binding method for simulations of complex materials properties Elstner, M.; Porezag, D.; Jungnickel, G. Physical Review B, Vol. 58, Issue 11, p. 7260-7268 https://doi.org/10.1103/PhysRevB.58.7260	journal	September 1998
Octahedral boron nitride fullerenes formed by electron beam irradiation Golberg, D.; Bando, Y.; Stéphan, O. Applied Physics Letters, Vol. 73, Issue 17 https://doi.org/10.1063/1.122475	journal	October 1998
ReaxFF Reactive Force Field Development and Applications for Molecular Dynamics Simulations of Ammonia Borane Dehydrogenation and Combustion Weismiller, Michael R.; van Duin, Adri C. T.; Lee, Jongguen The Journal of Physical Chemistry A, Vol. 114, Issue 17 https://doi.org/10.1021/jp100136c	journal	April 2010
Inter-layer potential for hexagonal boron nitride Leven, Itai; Azuri, Ido; Kronik, Leeor The Journal of Chemical Physics, Vol. 140, Issue 10 https://doi.org/10.1063/1.4867272	journal	March 2014
Synthesis of boron nitride nanotubes by arc-jet plasma Lee, C. M.; Choi, S. I.; Choi, S. S. Current Applied Physics, Vol. 6, Issue 2 https://doi.org/10.1016/j.cap.2005.07.032	journal	February 2006
Hydrogen-Catalyzed, Pilot-Scale Production of Small-Diameter Boron Nitride Nanotubes and Their Macroscopic Assemblies Kim, Keun Su; Kingston, Christopher T.; Hrdina, Amy ACS Nano, Vol. 8, Issue 6 https://doi.org/10.1021/nn501661p	journal	May 2014
Synthesis of boron nitride nanotubes from carbon nanotubes by a substitution reaction Han, Weiqiang; Bando, Yoshio; Kurashima, Keiji Applied Physics Letters, Vol. 73, Issue 21, p. 3085-3087 https://doi.org/10.1063/1.122680	journal	November 1998
Root-Growth Mechanism for Single-Walled Boron Nitride Nanotubes in Laser Vaporization Technique Arenal, Raul; Stephan, Odile; Cochon, Jean-Lou Journal of the American Chemical Society, Vol. 129, Issue 51 https://doi.org/10.1021/ja076135n	journal	December 2007
Frustration Effects and Microscopic Growth Mechanisms for BN Nanotubes Blase, X.; De Vita, A.; Charlier, J. -C. Physical Review Letters, Vol. 80, Issue 8 https://doi.org/10.1103/PhysRevLett.80.1666	journal	February 1998
Scaled Synthesis of Boron Nitride Nanotubes, Nanoribbons, and Nanococoons Using Direct Feedstock Injection into an Extended-Pressure, Inductively-Coupled Thermal Plasma Fathalizadeh, Aidin; Pham, Thang; Mickelson, William Nano Letters, Vol. 14, Issue 8 https://doi.org/10.1021/nl5022915	journal	July 2014
A solid-state process for formation of boron nitride nanotubes Chen, Ying; Chadderton, Lewis T.; Gerald, John Fitz Applied Physics Letters, Vol. 74, Issue 20 https://doi.org/10.1063/1.123979	journal	May 1999
Band gap modification of single-walled carbon nanotube and boron nitride nanotube under a transverse electric field Chen, Chun-Wei; Lee, Ming-Hsien; Clark, S. J. Nanotechnology, Vol. 15, Issue 12 https://doi.org/10.1088/0957-4484/15/12/025	journal	November 2004
Effective growth of boron nitride nanotubes Tang, C. C.; Ding, X. X.; Huang, X. T. Chemical Physics Letters, Vol. 356, Issue 3-4 https://doi.org/10.1016/S0009-2614(02)00325-1	journal	April 2002
Density-functional-based construction of transferable nonorthogonal tight-binding potentials for Si and SiH Frauenheim, Th.; Weich, F.; Köhler, Th. Physical Review B, Vol. 52, Issue 15 https://doi.org/10.1103/PhysRevB.52.11492	journal	October 1995
CVD Growth of Boron Nitride Nanotubes Lourie, Oleg R.; Jones, Carolyn R.; Bartlett, Bart M. Chemistry of Materials, Vol. 12, Issue 7 https://doi.org/10.1021/cm000157q	journal	July 2000
A theoretical study of the stability trends of boron nitride fullerenes Batista, Ronaldo J. C.; Mazzoni, Mário S. C.; Chacham, Hélio Chemical Physics Letters, Vol. 421, Issue 1-3 https://doi.org/10.1016/j.cplett.2005.12.097	journal	April 2006
First-principles study of small-radius single-walled BN nanotubes Xiang, H. J.; Yang, Jinlong; Hou, J. G. Physical Review B, Vol. 68, Issue 3 https://doi.org/10.1103/PhysRevB.68.035427	journal	July 2003
Formation of small single-layer and nested BN cages under electron irradiation of nanotubes and bulk material Stéphan, O.; Bando, Y.; Loiseau, A. Applied Physics A: Materials Science & Processing, Vol. 67, Issue 1 https://doi.org/10.1007/s003390050745	journal	July 1998
Formation and atomic structures of BnNn (n=24–60) clusters studied by mass spectrometry, high-resolution electron microscopy and molecular orbital calculations Oku, Takeo; Nishiwaki, Atsushi; Narita, Ichihito Physica B: Condensed Matter, Vol. 351, Issue 1-2 https://doi.org/10.1016/j.physb.2004.06.007	journal	August 2004
DFT and tight binding Monte Carlo calculations related to single-walled carbon nanotube nucleation and growth Zhu, Wuming; Börjesson, Anders; Bolton, Kim Carbon, Vol. 48, Issue 2 https://doi.org/10.1016/j.carbon.2009.09.064	journal	February 2010
Synthesis, Atomic Structures, and Electronic States of Boron Nitride Nanocage Clusters and Nanotubes Oku, Takeo; Narita, Ichihito; Nishiwaki, Atsushi Materials and Manufacturing Processes, Vol. 19, Issue 6 https://doi.org/10.1081/AMP-200035336	journal	December 2004
Rapid Growth of a Single-Walled Carbon Nanotube on an Iron Cluster: Density-Functional Tight-Binding Molecular Dynamics Simulations Ohta, Yasuhito; Okamoto, Yoshiko; Irle, Stephan ACS Nano, Vol. 2, Issue 7 https://doi.org/10.1021/nn8001906	journal	June 2008
Revealing the Dual Role of Hydrogen for Growth Inhibition and Defect Healing in Polycyclic Aromatic Hydrocarbon Formation: QM/MD Simulations Li, Hai-Bei; Page, Alister J.; Irle, Stephan The Journal of Physical Chemistry Letters, Vol. 4, Issue 14 https://doi.org/10.1021/jz400925f	journal	June 2013
Formation and structure of B24N24 clusters Oku, Takeo; Nishiwaki, Atsushi; Narita, Ichihito Chemical Physics Letters, Vol. 380, Issue 5-6 https://doi.org/10.1016/j.cplett.2003.08.096	journal	October 2003
Mechanisms of Single-Walled Carbon Nanotube Nucleation, Growth, and Healing Determined Using QM/MD Methods Page, Alister J.; Ohta, Yasuhito; Irle, Stephan Accounts of Chemical Research, Vol. 43, Issue 10 https://doi.org/10.1021/ar100064g	journal	October 2010

Similar Records

Single step synthesis of nanostructured boron nitride for boron neutron capture therapy

Journal Article · Fri May 15 00:00:00 EDT 2015 · AIP Conference Proceedings · OSTI ID:22391734

High‐Yield Synthesis of Stoichiometric Boron Nitride Nanostructures

Journal Article · Wed Dec 30 23:00:00 EST 2009 · Journal of Nanomaterials · OSTI ID:1198245

Synthesis of graphene nanoribbons inside boron nitride nanotubes

Journal Article · Mon Sep 19 00:00:00 EDT 2016 · Physica Status Solidi B. Basic Solid State Physics · OSTI ID:1401709

Related Subjects

Materials Science
Physics
Science & Technology - Other Topics

A path for synthesis of boron-nitride nanostructures in volume of arc plasma

Citation Formats

References (30)

Similar Records

Related Subjects