Transforming friction: unveiling sliding-induced phase transitions in CVD-grown WS₂ monolayers under single-asperity...

Transition metal dichalcogenides (TMDs) exhibit diverse properties across different phases, making them promising materials for various engineering applications. In the present work, we employed a comprehensive approach, combining experimental investigations and computational simulations to elucidate the remarkable tunable frictional characteristics of chemical vapor deposition (CVD) grown WS₂ monolayers through the sliding-induced transitions between the 1H and 1T' phases. Our atomic force microscopy (AFM) measurements reveal a significant contrast in friction between the two phases, with the 1H phase displaying higher friction (∼52%) than the 1T' phase. Surprisingly, under repeated scanning at constant stress, the friction of the 1H phase decreases, eventually matching the lower friction values of the 1T' phase. It was observed that the phase transformation is irreversible and is strongly dependent on contact stresses and is accelerated as the contact stress is increased by increasing the applied normal load. Molecular dynamics (MD) simulations provide further insights into the phase transition mechanism, highlighting the role of localized lateral stress and strain induced by sliding an AFM tip on the 1H phase. The simulations confirm that sliding induced localized lateral strain plays a crucial role in the phase transition, ultimately resulting in a decrease in friction. Moreover, our simulations unveil an intriguing connection between friction, potential energy surfaces, and the localized lateral strain during the phase transformation process. Our findings not only offer insights into the tribological properties of TMD materials but also open new possibilities for tailoring their performance in various applications where reducing friction and wear is crucial.