skip to main content

DOE PAGESDOE PAGES

This content will become publicly available on April 26, 2019

Title: Mechanism of Benzene Tribopolymerization on the RuO 2 (110) Surface

Authors:
; ; ;
Publication Date:
Grant/Contract Number:
FG02-07ER15920
Type:
Publisher's Accepted Manuscript
Journal Name:
Physical Review Applied
Additional Journal Information:
Journal Name: Physical Review Applied Journal Volume: 9 Journal Issue: 4; Journal ID: ISSN 2331-7019
Publisher:
American Physical Society
Sponsoring Org:
USDOE
Country of Publication:
United States
Language:
English
OSTI Identifier:
1434827

Yang, J., Qi, Y., Kim, H. D., and Rappe, A. M.. Mechanism of Benzene Tribopolymerization on the RuO 2 (110) Surface. United States: N. p., Web. doi:10.1103/PhysRevApplied.9.044038.
Yang, J., Qi, Y., Kim, H. D., & Rappe, A. M.. Mechanism of Benzene Tribopolymerization on the RuO 2 (110) Surface. United States. doi:10.1103/PhysRevApplied.9.044038.
Yang, J., Qi, Y., Kim, H. D., and Rappe, A. M.. 2018. "Mechanism of Benzene Tribopolymerization on the RuO 2 (110) Surface". United States. doi:10.1103/PhysRevApplied.9.044038.
@article{osti_1434827,
title = {Mechanism of Benzene Tribopolymerization on the RuO 2 (110) Surface},
author = {Yang, J. and Qi, Y. and Kim, H. D. and Rappe, A. M.},
abstractNote = {},
doi = {10.1103/PhysRevApplied.9.044038},
journal = {Physical Review Applied},
number = 4,
volume = 9,
place = {United States},
year = {2018},
month = {4}
}

Works referenced in this record:

Generalized Gradient Approximation Made Simple
journal, October 1996
  • Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias
  • Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868
  • DOI: 10.1103/PhysRevLett.77.3865

Semiempirical GGA-type density functional constructed with a long-range dispersion correction
journal, January 2006
  • Grimme, Stefan
  • Journal of Computational Chemistry, Vol. 27, Issue 15, p. 1787-1799
  • DOI: 10.1002/jcc.20495

A climbing image nudged elastic band method for finding saddle points and minimum energy paths
journal, December 2000
  • Henkelman, Graeme; Uberuaga, Blas P.; Jónsson, Hannes
  • The Journal of Chemical Physics, Vol. 113, Issue 22, p. 9901-9904
  • DOI: 10.1063/1.1329672