Atomic-scale friction control based on ferroelectricity

Friction control remains a pivotal challenge in enhancing energy efficiency and extending the operational lifespan of mechanical components across multiple length scales. Sliding ferroelectric materials present a promising pathway for friction modulation via external electric fields due to their capacity to generate tunable out-of-plane polarization through interlayer sliding. However, a critical barrier in realizing this approach lies in quantifying the correlation between friction behavior in sliding ferroelectrics and applied electric fields. Here, we systematically investigate the friction and electronic constructures of eight h-BN-like sliding ferroelectric systems under varying external electric fields by combining a self-built high-throughput computational framework based on density functional theory and the Prandtl-Tomlinson model with electronic effect considerations. We elucidate the fundamental principles governing electric-field-regulated friction in sliding ferroelectric materials and quantitatively determine the alternating electric field intensity required to achieve superlubricity. This study lays the theoretical foundation for designing of field-tunable, ultra-low-friction atomic-scale devices using sliding ferroelectric materials.