摘要： Energy conversion devices such as perovskite solar cells and energy storage devices such as lithium sulfur battery flourish in these decades owing to their capabilities to deliver large power conversion efficiency and store superior specific energy, with potentials to solve the global energy crisis and environmental issues. Compared with conventional energy conversion devices and energy storage devices that have limited performances, integrating the energy conversion devices and energy storage devices into a single unit is advantageous to present enhanced performance in multiple applications and satisfy the commercial needs. However, further development of the integration relies on a deeper understanding of the interactions between the functional materials in the energy conversion devices and energy storage devices. In this study, we try to bridge the gap by investigating the interactions between the light absorbing halide perovskite material CH3NH3PbI3 and the lithium polysulfide intermediates (S8, Li2S8, Li2S6, Li2S4, Li2S2 and Li2S) formed during the charging/discharging processes in lithium sulfur batteries via ab-initio calculations. We find that the CH3NH3PbI3 and lithium polysulfide species have decent interactions, with the lithium polysulfide species residing stably on the halide perovskite surfaces and such interactions are strengthened by the charge transfer characters between the adsorbates and the adsorbents. We propose that the light absorbing halide perovskite materials represented by the CH3NH3PbI3 absorber exhibit potentials to be integrated into the lithium sulfur battery cathode to serve as an anchoring material to harness the solar power and mitigate the battery degradation problem, since the dissolution of intermediate lithium polysulfide (Li2Sn) is a severe problem in lithium sulfur batteries. The resulting integrated device is superior in capturing the solar energy due to the presence of the halide perovskite moiety and exhibits a large specific energy, low cost and low toxicity due to the sulfur materials. The comprehensive understanding of the light absorbing halide perovskite material and the lithium polysulfide species in this theoretical work forms a foundation for the further development and commercialization of integrated device that captures solar energy and can be charged/discharged efficiently.