摘要： Using first-principles calculations, we demonstrate a combination of two emergent fields, type-II van der Waal heterostructures and Janus structures, for the purpose of optimizing the harvesting of solar and nanoelectromechanical energy. The most stable stacking order in these nanoscale heterobilayers comprising of Janus monolayers of transition metal dichalcogenides has been ascertained based on the interlayer binding energies. The binding energies in WSeTe/WSTe and MoSeTe/WSTe heterobilayers are found to be -27.93 and -25.67 meV/?2 at an equilibrium interlayer layer distance of 3.25 ? and 3.32 ? respectively, indicating the exothermicity in the process of heterobilayer formation and hence, its experimental feasibility. The mechanical and dynamical stabilities have also been confirmed for these heterobilayers using the Born Huang stability criteria and phonon dispersion calculations. Our results unveil the mechanism underlying the electronic, piezoelectric, photocatalytic properties and carrier mobility in these Janus heterobilayers. Power conversion efficiency in the 2D ultrathin excitonic solar cells constituted by some of the heterobilayers studied in this work, has been found to lie in the range of 15-20%. Moreover, a very high carrier mobility (>200 cm2/V.s) together with a large visible light absorption coefficient (α ~ 105 cm-1) has been observed in these hetero-bilayers. The piezoelectric coefficients in these ultrathin heterobilayers (d33 = 13.91 pm/V) is found to reach close to the values obtained in multilayer/bulk structures built from Janus monolayers of Mo-based dichalcogenides. Our findings highlight the promising applications of these heterobilayers in ultrathin excitonic solar cells, nanoelectronics and nanopiezotronics.