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Title: Surface structure of linear nanopores in amorphous silica: Comparison of properties for different pore generation algorithms

Authors:
ORCiD logo [1]; ORCiD logo [1]; ORCiD logo [1]
  1. Ames Lab., and Iowa State Univ., Ames, IA (United States)
Publication Date:
Research Org.:
Ames Lab., Ames, IA (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES). Chemical Sciences, Geosciences & Biosciences Division; USDOE
OSTI Identifier:
1668273
Alternate Identifier(s):
OSTI ID: 1665908
Report Number(s):
IS-J-10,309
Journal ID: ISSN 0021-9606
Grant/Contract Number:  
AC02-07CH11358
Resource Type:
Journal Article: Accepted Manuscript
Journal Name:
Journal of Chemical Physics
Additional Journal Information:
Journal Volume: 153; Journal Issue: 12; Journal ID: ISSN 0021-9606
Publisher:
American Institute of Physics (AIP)
Country of Publication:
United States
Language:
English
Subject:
Reactive force field; molecular dynamics; chemical bonding; nanomaterials; mesoporous material; dehydroxylation; geminal; computational chemistry; amorphous solids

Citation Formats

Han, Yong, Slowing, Igor I., and Evans, James W. Surface structure of linear nanopores in amorphous silica: Comparison of properties for different pore generation algorithms. United States: N. p., 2020. Web. doi:10.1063/5.0021317.
Han, Yong, Slowing, Igor I., & Evans, James W. Surface structure of linear nanopores in amorphous silica: Comparison of properties for different pore generation algorithms. United States. doi:10.1063/5.0021317.
Han, Yong, Slowing, Igor I., and Evans, James W. Mon . "Surface structure of linear nanopores in amorphous silica: Comparison of properties for different pore generation algorithms". United States. doi:10.1063/5.0021317. https://www.osti.gov/servlets/purl/1668273.
@article{osti_1668273,
title = {Surface structure of linear nanopores in amorphous silica: Comparison of properties for different pore generation algorithms},
author = {Han, Yong and Slowing, Igor I. and Evans, James W.},
abstractNote = {},
doi = {10.1063/5.0021317},
journal = {Journal of Chemical Physics},
issn = {0021-9606},
number = 12,
volume = 153,
place = {United States},
year = {2020},
month = {9}
}

Journal Article:
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