S. Khalil, E. Shelil, W. Omar, T. Hatem
The British University in Egypt,
Keywords: solar cells, perovskite structures, efficiency of solar cells, organic-based perovskite, atomistic simulations, tandom, crystalline Si
Summary:The rapid growing efficiency of perovskite solar cells makes them gained a growing research interest. Organo-metallic halide perovskite materials solar efficiency pro-gressed from 3.5% in 2009 to 23.3% in 2019. This fast enhancement in PSC are attributed to their solubility and ability to be solution-process achievable, flexible and transparent2. Perovskite materials have been synthesized by different methods such as, spin-coating, inverse temperature crystallization, the lig-and-assisted reprecipitation technique, hy-drothermal synthesis, and self-template-directed synthesis. Schmidt et al. reported a novel synthetic route to prepare colloidal organic–inorganic hybrid MAPbBr3 nano-crystals (NCs) in 2014. On the other hand, the eﬃciency of the market-dominating crystalline silicon solar cells has slowly improved during the last 15 years, with cur-rent eﬃciencies currently around 25.6%,1 which is close to the theoretical maximum eﬃciency of 29.4%. Silicon production is a mature industry constituting more than 95% of commercial solar cells. The most straightforward way to reach eﬃciencies exceeding this limit at reasonable cost is to combine a silicon cell with an emerging low-cost cell with a wide-bandgap efficient absorber forming a tan-dem solar cell. Figure 1, illustrates how a tandem of perovskite over crystalline (c-Si) and amorphous Si (s-Si) can be ordered to improve the solar cell efficiency. Obvious-ly, material of choice to be on top of silicon should be cost effective material and suits large area processabilty. The wide band gape and coast effective production of the organic−inorganic metal halide perovskite materials made them a suitable candidate for this purpose in solar cell, which has re-cently shown tremendous progress and reached eﬃciencies as high as 20.1%. The organic component promotes solubility of perovskite facilitating its precipitation on the Si substrate from solution and gives some mechanical flexibility to brittle Si solar cells. Deciding on the organic-based perovskites that gives optimum electronic and mechanical properties is still an open question. It is essential to build a platform for adapting the different types of perov-skites to enhance their technological as-pects. In this work, we use atomistic Molecular Dynamics (MD) simulations to investigate the adhesion properties of organic-based perovskites on a Si substrate. The use of classical MD to investigate mechanical properties of a tandem is still under inves-tigation. This work lays the basis to stomisitic simulations of tandems and in-vestigates the ability of the organic-based perovskite to accept a wide range of inor-ganic elements. A comprehensive study is carried out to determine the effect of dif-ferent organic-based perovskite layers on the mechanical properties of Si. Since the efficientcy of solar cells have been found to decrease with the increase of temperature, it was found convenient to explore our re-sults under the effect of elevated tempera-tures.