Computational Study of Low Interlayer Friction in Tin+1Cn (n = 1, 2, and 3) MXene.

Abstract

The friction of adjacent Tin+1Cn (n = 1, 2, and 3) MXene layers is investigated using density functional theory (DFT) calculations and classical molecular dynamics simulations with ReaxFF potentials. The calculations reveal the sliding pathways in all three MXene systems with low energy barriers. The friction coefficients for interlayer sliding are… (More)
DOI: 10.1021/acsami.7b09895

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