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Gas-Phase Lubrication of ta-C by Glycerol and Hydrogen Peroxide. Experimental and Computer Modeling

Martin, Jean-Michel and De Barros Bouchet, Maria-Isabel and Matta, Christine and Zhang, Qing and Goddard, William A., III and Okuda, Sachiko and Sagawa, Takumaru (2010) Gas-Phase Lubrication of ta-C by Glycerol and Hydrogen Peroxide. Experimental and Computer Modeling. Journal of Physical Chemistry C, 114 (11). pp. 5003-5011. ISSN 1932-7447.

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Tetrahedrally coordinated hydrogen-free amorphous diamond-like carbon coating (denoted as ta-C) presents ultralow friction under boundary lubrication conditions at 80 °C in presence of OH-containing molecules. To understand the mechanism of ultralow friction, we performed gas-phase lubrication experiments followed by time-of-flight secondary ion mass spectrometry (ToF-SIMS) analyses and this using two simple molecules: deuterated glycerol and hydrogen peroxide. The experiments were complemented by computer simulations using the ReaxFF reactive force field. These simulations suggest a ta-C surface rich in sp^2 carbon with some reactive sp^1 carbon atoms, in agreement with previous energy filtered transmission electron microscopy (EFTEM) results. Sliding simulations show that the carbon surface atoms react with glycerol and hydrogen peroxide to form OH-termination. Moreover, the hydroxylation is then followed by the chemical dissociation of some of the glycerol molecules leading to the formation of water. This is in agreement with the secondary ion mass spectrometry (SIMS) analyses and mass spectrometer results obtained with gas-phase lubrication experiments with the same molecules. Both experimental and computer simulations strongly suggest that the hydroxylation of the carbon surface is at the origin of ultralow friction together with the formation of water-rich film in the sliding interface.

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Goddard, William A., III0000-0003-0097-5716
Additional Information:© 2010 American Chemical Society. Received: October 16, 2009; Revised Manuscript Received: February 5, 2010. Publication Date (Web): March 1, 2010. The authors would like to thank Nissan Motor Corp. Ltd. JAPAN for supporting this work.
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Nissan Motor Corp. Ltd. JapanUNSPECIFIED
Issue or Number:11
Record Number:CaltechAUTHORS:20100408-152512402
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Official Citation:Gas-Phase Lubrication of ta-C by Glycerol and Hydrogen Peroxide. Experimental and Computer Modeling Jean-Michel Martin, Maria-Isabel De Barros Bouchet, Christine Matta, Qing Zhang, William A. Goddard III, Sachiko Okuda, Takumaru Sagawa The Journal of Physical Chemistry C 2010 114 (11), 5003-5011
Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:17909
Deposited By: Tony Diaz
Deposited On:21 Apr 2010 19:34
Last Modified:26 Nov 2019 11:15

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