Improving the efficiency of solar cells that convert light into electricity is one of the challenges that scientists seek to address, in light of the increasing demand for renewable energy sources. Solar cells play a pivotal role in helping countries get rid of fossil fuels, with lower production costs, thanks to the availability of the material. Silicon is abundant, and researchers at the University of Paderborn in Germany have discovered some unique defects in the atomic structure of silicon, and they plan to use them to improve the efficiency of solar cells.

A research team led by Wolf Gero Schmidt, professor of theoretical materials physics at the University of Paderborn, conducted an in-depth study of the work of solar cells, using the High Performance Computing Center in Stuttgart (HLRS) to understand how these photovoltaic cells are converted into electricity. Schmidt's team used the "Hawkeye" supercomputer to simulate How to control excitons (pairing an electron with an electron hole) and move them inside solar cells to capture more energy.

The study made a surprising discovery: The team found that some defects in the system improve exciton transport rather than hinder it. Most solar cells are made of silicon, which is a common element but has drawbacks in capturing solar radiation and converting it into electricity.

Photons – particles of light – absorb much more energy than can be converted into electricity by silicon; This leads to a loss of energy in the form of heat, and scientists are seeking to find ways to capture some of this excess energy and improve the efficiency of solar cells.

Schmidt's team focused on using a thin layer of organic tetracine as the top layer of the solar cell. The team used AIMD simulations to study how particles interact and move inside the solar cell. AIMD simulations allowed the team to understand how electrons interact with electron holes and other atoms in the system with high precision.