http://www.cnr.it/ontology/cnr/individuo/prodotto/ID276109

Load-Induced Confinement Activates Diamond Lubrication by Water (Articolo in rivista)

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Label

Load-Induced Confinement Activates Diamond Lubrication by Water (Articolo in rivista) (literal)

Anno

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Alternative label

Zilibotti G. [ 1 ] ; Corni S. [ 2 ] ; Righi M. C. [ 1,2 ] (2013)
Load-Induced Confinement Activates Diamond Lubrication by Water
in Physical review letters (Print); AMER CHEMICAL SOC, 1155 16TH ST, NW, WASHINGTON, DC 20036 (Stati Uniti d'America)
(literal)

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[ 1 ] Univ Modena & Reggio Emilia, Dept Phys Informat & Math, I-41125 Modena, Italy [ 2 ] CNR, Ist Nanosci, I-41125 Modena, Italy (literal)

Titolo

Abstract

Tribochemical reactions are chemical processes, usually involving lubricant or environment molecules, activated at the interface between two solids in relative motion. They are difficult to be monitored in situ, which leaves a gap in the atomistic understanding required for their control. Here we report the real-time atomistic description of the tribochemical reactions occurring at the interface between two diamond films in relative motion, by means of large scale ab initio molecular dynamics. We show that the load-induced confinement is able to catalyze diamond passivation by water dissociative adsorption. Such passivation decreases the energy of the contacting surfaces and increases their electronic repulsion. At sufficiently high coverages, the latter prevents surface sealing, thus lowering friction. Our findings elucidate effects of the nanoscale confinement on reaction kinetics and surface thermodynamics, which are important for the design of new lubricants. (literal)

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