2006
DOI: 10.1016/j.susc.2006.05.008
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Atmospheric effects on the adhesion and friction between non-hydrogenated diamond-like carbon (DLC) coating and aluminum – A first principles investigation

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Cited by 156 publications
(104 citation statements)
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“…Specifically, Dag and Ciraci demonstrated the existence of strong repulsive forces between hydrogen-terminated diamond (001) surfaces using ab initio method, especially when the distance between such surfaces is brought down to less than 2.5 Å [28]. In a similar study based on density functional theory, Qi et al examined the H-terminated diamond (111) surfaces approaching each other [29]. They also found that the system energy changes considerably as the interfacial distance becomes increasingly small.…”
Section: Resultsmentioning
confidence: 99%
“…Specifically, Dag and Ciraci demonstrated the existence of strong repulsive forces between hydrogen-terminated diamond (001) surfaces using ab initio method, especially when the distance between such surfaces is brought down to less than 2.5 Å [28]. In a similar study based on density functional theory, Qi et al examined the H-terminated diamond (111) surfaces approaching each other [29]. They also found that the system energy changes considerably as the interfacial distance becomes increasingly small.…”
Section: Resultsmentioning
confidence: 99%
“…They also show that as the concentration of H 2 O increases, the formation of a surface involving both hydride and hydroxyl terminations is favorable 54 . As well, DFT applied by Qi et al 56 showed that breaking one of the O-H bonds in water and then passivating two carbon atoms with the resultant H and OH groups has an adsorption energy of 1.8 eV/molecule. Overwhelmingly, the DFT work concludes that the dissociative adsorption of H 2 O to form C-H and C-OH groups on the surface is expected.…”
Section: G Theoretical Support For Passivation Mechanismmentioning
confidence: 98%
“…We do not claim that this corresponds to the instantaneous chemistry present during sliding, but rather that in the worn region: (a) ordered graphite is not formed since it would not disappear upon ambient exposure; and (b) oxidized species indicate that dangling bonds were produced and eventually passivated. Given the rapid dissociation times and highly favorable energetics of water dissociation on the diamond dangling bonds [32] passivation likely occurred during sliding. Chemical modifications can occur TABLE I.…”
mentioning
confidence: 99%