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Development of a Transferable ReaxFF Parameter Set for Carbon- and Silicon-Based Solid Systems

Authors :
Momoji Kubo
Qiang Sun
Jingxiang Xu
Yuqing Shi
Yang Wang
Kang Lu
Source :
The Journal of Physical Chemistry C. 124:10007-10015
Publication Year :
2020
Publisher :
American Chemical Society (ACS), 2020.

Abstract

The performance of carbon- and silicon-based solid lubricants is strongly affected by the tribochemical reactions, especially with hydrogen and oxygen. Even though understanding and unveiling these...

Details

ISSN :
19327455 and 19327447
Volume :
124
Database :
OpenAIRE
Journal :
The Journal of Physical Chemistry C
Accession number :
edsair.doi...........9ed4b745a8ba8e883ef4b510134be200
Full Text :
https://doi.org/10.1021/acs.jpcc.0c01645