Ab initio studies on nanoscale friction between fluorinated diamond surfaces: Effect of model size and level of theory

Article Abstract:

The interactions between two fluorinated diamond surfaces placed in contact with each other are examined by using quantum chemical Hartree-Fock and Moller-Plesset perturbation theory and basis sets def-SV(P). The interaction energies of the two models with different stacking configurations are compared and the averages of the calculated friction coefficients are found to be within the range of values 0.28-0.43.

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Electrical properties of diamond surfaces functionalized with molecular monolayers

Article Abstract:

The electrical impedance of polycrystalline and signal-crystal diamond surfaces modified with an organic monolayer produced is described by photochemical reaction of diamond with 1-dodecene. The results suggest that by measuring the impedance as a function of frequency and potential, it is possible to dissect the complex interfacial structure into frequency ranges.

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Ab initio studies on the atomic-scale origin of friction between diamond (111) surfaces

Article Abstract:

The friction force was found to increase linearly with the normal load, indicating that Amontons' law also holds true in the microscale world. The goal of this study was to model the atomic-scale friction of a hydrogenated diamond (111) surface, C13H22, with a suitable ab initio method.

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