Computer Algorithm Searches for New Materials for Better Organic Solar Cells

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An algorithm assists to discover brand-new effective solar battery products by reassembling currently understood molecular foundation of solar batteries and mimicing the resulting particles. Credit: © MPI-P

Organic, carbon-based, products currently see prevalent usage in screens today, however they are likewise appealing products for brand-new solar batteries. However, customizing their homes is lengthy and needs substantial chemical synthesis and characterization. A brand-new simulation procedure has actually now been established at the Max Planck Institute for Polymer Research that integrates currently understood molecular foundation to form brand-new structures and associates them with the solar battery performance and might therefore substantially streamline advancement procedures.

Organic solar batteries might serve a crucial function in the shift towards renewable resources. However, a low-cost artificial path and a high cell performance contribute in helping this shift. The discovery of a brand-new product class, referred to as “non-fullerene acceptors,” offers a cost-effective artificial path as compared to the more standard silicon solar batteries, while offering a greater performance than the very first natural solar batteries.

The style of these “non-fullerene acceptor” products with homes customized for usage in solar batteries still postures obstacles. A brand-new simulation-based style method to streamline this treatment has actually now been established in the group of Denis Andrienko, department of Kurt Kremer at the Max Planck Institute for Polymer Research, and associates. The style method uses currently understood natural solar batteries with high effectiveness by dividing them into numerous foundation. These pieces are comprised of either electron-donating or electron-accepting molecular elements, so-called “acceptors” and “donors.” Donor and acceptor foundation from various recognized solar batteries can be integrated to provide brand-new “non-fullerene acceptor” particles for usage in solar batteries.

“It is a challenge to select the right one from the large number of existing molecular compounds – that is why we use our method to access already existing solar cells and combine their molecular components to create new solar cells,” states Kun-Han Lin, a co-author of the research study.

The style algorithm consists of restrictions that decrease the variety of possible “non-fullerene acceptor” particles– such as molecular balance, quadrupole minute, ionization energy and electron affinity. For example, in cases where an acceptor-donor-acceptor mix is utilized the 2 acceptor foundation are constantly of the very same type.

This style method is currently revealing guarantee and assists to forecast solar battery performance prior to products are really manufactured.

“We were thrilled when we realized that our method worked: out of 12 predicted efficient solar cells, 10 have already been produced, and are highly efficient,” Andrienko stated.

They have actually released their operate in the distinguished journal Advanced Energy Materials

Reference: “Chemical Design Rules for Non-Fullerene Acceptors in Organic Solar Cells” by Anastasia Markina, Kun-Han Lin, Wenlan Liu, Carl Poelking, Yuliar Firdaus, Diego Rosas Villalva, Jafar I. Khan, Sri H. K. Paleti, George T. Harrison, Julien Gorenflot, Weimin Zhang, Stefaan De Wolf, Iain McCulloch, Thomas D. Anthopoulos, Derya Baran, Fr édéric Laquai and Denis Andrienko, 8 October 2021, Advanced Energy Materials
DOI: 10.1002/ aenm.202102363