January 26, 2023

Building-Block Solar Cells: Computer Algorithm Searches for New Materials for Better Organic Solar Cells

An algorithm assists to discover new effective solar battery materials by reassembling currently understood molecular building blocks of solar batteries and mimicing the resulting particles. Credit: © MPI-P
Organic, carbon-based, products currently see prevalent use in display screens today, but they are also promising materials for brand-new solar cells. However, tailoring their homes is lengthy and needs substantial chemical synthesis and characterization. A new simulation procedure has actually now been developed at limit Planck Institute for Polymer Research that integrates already known molecular foundation to form new structures and associates them with the solar cell performance and could hence significantly streamline advancement processes.
Organic solar cells could serve a crucial role in the shift towards renewable resources. However, an inexpensive artificial route and a high cell performance contribute in helping this transition. The discovery of a new material class, known as “non-fullerene acceptors,” offers a cost-effective synthetic route as compared to the more conventional silicon solar batteries, while offering a higher efficiency than the very first natural solar cells.
The design of these “non-fullerene acceptor” products with residential or commercial properties tailored for use in solar cells still poses obstacles. A brand-new simulation-based design methodology to simplify this procedure has now been developed in the group of Denis Andrienko, department of Kurt Kremer at the Max Planck Institute for Polymer Research, and coworkers. The style approach uses already known organic solar batteries with high efficiencies by dividing them into a number of foundation. These fragments are comprised of either electron-donating or electron-accepting molecular components, so-called “acceptors” and “donors.” Donor and acceptor foundation from various known solar batteries can be combined to give new “non-fullerene acceptor” particles for use in solar batteries.

” It is an obstacle to pick the best one from the a great deal of existing molecular substances– that is why we use our technique to access already existing solar batteries and integrate their molecular elements to develop brand-new solar batteries,” states Kun-Han Lin, a co-author of the research study.
The style algorithm includes restraints that decrease the variety of possible “non-fullerene acceptor” molecules– such as molecular proportion, quadrupole moment, ionization energy and electron affinity. In cases where an acceptor-donor-acceptor combination is used the two acceptor structure blocks are constantly of the same type.
This design approach is already showing pledge and assists to forecast solar cell performance prior to products are in fact synthesized.
” We were thrilled when we realized that our technique worked: out of 12 predicted effective solar batteries, 10 have actually currently been produced, and are highly efficient,” Andrienko stated.
They have released their operate in the prominent 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, Frédéric Laquai and Denis Andrienko, 8 October 2021, Advanced Energy Materials.DOI: 10.1002/ aenm.202102363.

A new simulation procedure has now been established at the Max Planck Institute for Polymer Research that combines currently known molecular building obstructs to form new structures and associates them with the solar cell performance and could thus significantly streamline development procedures.
The discovery of a new material class, understood as “non-fullerene acceptors,” supplies a cost-effective artificial route as compared to the more standard silicon solar cells, while offering a greater performance than the first natural solar cells.
Donor and acceptor structure blocks from various known solar cells can be combined to provide brand-new “non-fullerene acceptor” particles for use in solar cells.

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