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Development of a Transferable ReaxFF Parameter Set for Carbon- and Silicon-Based Solid Systems
- 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...
- Subjects :
- Materials science
Hydrogen
Silicon
chemistry.chemical_element
02 engineering and technology
010402 general chemistry
021001 nanoscience & nanotechnology
01 natural sciences
Oxygen
0104 chemical sciences
Surfaces, Coatings and Films
Electronic, Optical and Magnetic Materials
Silicon based
General Energy
chemistry
Chemical engineering
Physical and Theoretical Chemistry
ReaxFF
0210 nano-technology
Carbon
Dry lubricant
Subjects
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