An approach using molecular dynamics to connect biomaterials with solar systems to increase the amount of renewable energy: Application in built environments

Huhemandula and WH Ji and YH Tao, ENGINEERING ANALYSIS WITH BOUNDARY ELEMENTS, 156, 467-474 (2023).

DOI: 10.1016/j.enganabound.2023.08.029

In this work, the LAMMPS software was utilized for molecular dynamics to model perovskite crystal structure. Researchers aimed to understand behavior of perovskite layer at different temperatures and pressures. By exposing it to various temperature settings, they observed and examined characteristics of perovskite structure. The study also investigated volume growth of perovskite structure under influence of heat, as atoms inside material became more active with increasing temperature, resulting in volume expansion. Understanding these thermal effects is crucial for developing perovskite solar cells capable of withstanding extreme temperatures. To further explore application of perovskites in solar cells, researchers integrated Spiro-OMeTAD as a hole-transport layer (HTL) within perovskite solar cell structure. Spiro-OMeTAD is a widely used material in construction of biostructures. Its impact on total efficiency and fill factor of perovskite solar cells was investigated. The efficiency of a solar cell indicates its ability to convert sunlight into electrical energy, while fill factor evaluates cell's capacity to utilize available light effectively. The ultimate objective of this study is to utilize perovskite solar cells to contribute to advancement of sustainable energy alternatives. These cells have shown great promise for harnessing solar energy and can serve as an environmentally friendly option for powering buildings.

Return to Publications page