The recent discoveries of transition-metal dichalcogenides (TMDs) as novel 2D electronic materials hold great promise to a rich variety of artificial van der Waals (vdWs) heterojunctions and superlattices. Moreover, most of the monolayer TMDs become intrinsically piezoelectric due to the lack of structural centrosymmetry, which offers them a new degree of freedom to interact with external mechanical stimuli. Here, fabrication of flexible vdWs p-n diode by vertically stacking monolayer n-MoS 2 and a few-layer p-WSe 2 is achieved. Electrical measurement of the junction reveals excellent current rectification behavior with an ideality factor of 1.68 and photovoltaic response is realized. Performance modulation of the photodiode via piezo-phototronic effect is also demonstrated. The optimized photoresponsivity increases by 86% when introducing a â0.62% compressive strain along MoS 2 armchair direction, which originates from realigned energy-band profile at MoS 2 /WSe 2 interface under strain-induced piezoelectric polarization charges. This new coupling mode among piezoelectricity, semiconducting, and optical properties in 2D materials provides a new route to strain-tunable vdWs heterojunctions and may enable the development of novel ultrathin optoelectronics.