We put forward an n-ZnO/p-Si heterojunction solar cell model based on AFORS-HET simulations and provide experimental support in this article. ZnO: B (B-doped ZnO) thin films deposited by metal-organic chemical vapor deposition (MOCVD) are planned to act as electrical emitter layer on p-type c-Si substrate for photovoltaic applications. We investigate the effects of thickness, buffer layer, ZnO: B affinity and work function of electrodes on performances of solar cells through computer simulations using AFORS-HET software package. The energy conversion efficiency of the ZnO: B(n)/ZnO/c-Si(p) solar cell can achieve 17.16% (Voc: 675.8 mV, Jsc: 30.24 mA/cm2, FF: 83.96%) via simulation. On a basis of optimized conditions in simulation, we carry out some experiments, which testify that the ZnO buffer layer of 20 nm contributes to improving performances of solar cells. The influences of growth temperature, thickness and diborane (B2H6/flow rates are also discussed. We achieve an appropriate condition for the fabrication of the solar cells using the MOCVD technique. The obtained conversion efficiency reaches 2.82% (Voc: 294.4 mV, Jsc: 26.108 mA/cm2, FF: 36.66%).