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Title: Simulations of the synthesis of boron-nitride nanostructures in a hot, high pressure gas volume

Quantum-classical molecular dynamics reveals optimal molecular precursors and temperatures for synthesis of boron-nitride nanostructures.
Authors:
ORCiD logo [1] ; ORCiD logo [1] ; ORCiD logo [2] ; ORCiD logo [3]
  1. Stony Brook Univ., Stony Brook, NY (United States)
  2. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
  3. Waseda Univ., Tokyo (Japan)
Publication Date:
Grant/Contract Number:
AC05-00OR22725; AC02-09CH11466
Type:
Published Article
Journal Name:
Chemical Science
Additional Journal Information:
Journal Volume: 9; Journal Issue: 15; Journal ID: ISSN 2041-6520
Publisher:
Royal Society of Chemistry
Research Org:
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Sponsoring Org:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
OSTI Identifier:
1431137
Alternate Identifier(s):
OSTI ID: 1439342

Krstic, Predrag S., Han, Longtao, Irle, Stephan, and Nakai, Hiromi. Simulations of the synthesis of boron-nitride nanostructures in a hot, high pressure gas volume. United States: N. p., Web. doi:10.1039/C8SC00667A.
Krstic, Predrag S., Han, Longtao, Irle, Stephan, & Nakai, Hiromi. Simulations of the synthesis of boron-nitride nanostructures in a hot, high pressure gas volume. United States. doi:10.1039/C8SC00667A.
Krstic, Predrag S., Han, Longtao, Irle, Stephan, and Nakai, Hiromi. 2018. "Simulations of the synthesis of boron-nitride nanostructures in a hot, high pressure gas volume". United States. doi:10.1039/C8SC00667A.
@article{osti_1431137,
title = {Simulations of the synthesis of boron-nitride nanostructures in a hot, high pressure gas volume},
author = {Krstic, Predrag S. and Han, Longtao and Irle, Stephan and Nakai, Hiromi},
abstractNote = {Quantum-classical molecular dynamics reveals optimal molecular precursors and temperatures for synthesis of boron-nitride nanostructures.},
doi = {10.1039/C8SC00667A},
journal = {Chemical Science},
number = 15,
volume = 9,
place = {United States},
year = {2018},
month = {3}
}

Works referenced in this record:

Synthesis of boron nitride nanotubes from carbon nanotubes by a substitution reaction
journal, November 1998
  • Han, Weiqiang; Bando, Yoshio; Kurashima, Keiji
  • Applied Physics Letters, Vol. 73, Issue 21, p. 3085-3087
  • DOI: 10.1063/1.122680

The physics of boron nitride nanotubes
journal, November 2010
  • Cohen, Marvin L.; Zettl, Alex
  • Physics Today, Vol. 63, Issue 11, p. 34-38
  • DOI: 10.1063/1.3518210