Molybdenum disulfide (MoS₂) with diverse crystal phase shows different symmetry, which may exhibit distinct piezoelectric properties. In this work, a series of few-layered MoS₂ with 1T/2H, 1T/3R and 2H phases were obtained and identified to investigate the relationship between the piezoelectric activities and crystal phases. It is firstly proved by finite element simulation that 3R phase with even layers exhibited out-of-plane piezoelectricity not shown in 2H phases. Among them, 1T/3R-MoS₂ showed 100% degradation efficiency for bisphenol A (BPA) in water within 45 min under ultrasonic vibration, whose removal rate was 1.36 and 3.95 times higher than that of 1T/2H-MoS₂ and 2H-MoS₂, respectively. The higher activity of 1T/3R-MoS₂ can be attributed to the combination of metal and semiconductor phase as well as the cooperation with in-of-plane and out-of-plane piezoelectricity of arbitrary multilayer 3R phase, which can accelerate the transfer and separation of free carriers. Herein, the piezoelectric effect of MoS₂ was studied from the perspective of crystal structure, which might provide a new insight of piezocatalysis with layered transition metal dichalcogenides (TMDs) for environmental purification and energy conversion.

具有不同晶相的二硫化钼（MoS ₂）表现出不同的对称性，可能表现出不同的压电特性。在这项工作中，获得并鉴定了一系列具有 1T/2H、1T/3R 和 2H 相的少层 MoS ₂以研究压电活性与晶相之间的关系。首次通过有限元模拟证明，具有偶数层的 3R 相表现出 2H 相中未显示的面外压电性。其中，1T/3R-MoS ₂在超声振动下45 min内对水中双酚A（BPA）的降解效率为100%，去除率分别是1T/2H-MoS ₂和2H-的1.36倍和3.95倍。硫化钼₂， 分别。1T/3R-MoS ₂较高的活性可以归因于金属和半导体相的结合以及任意多层3R相的面内和面外压电性的协同作用，可以加速转移和自由载流子的分离。在此，从晶体结构的角度研究了MoS ₂的压电效应，这可能为层状过渡金属二硫属化物（TMDs）压电催化用于环境净化和能量转换提供新的见解。