In a recent study, researchers have developed an innovative technique to control the arrangement of multiple inorganic and organic layers in crystals.
This advance makes it possible to control the energy levels of electrons and holes (positive charge carriers) within a class of materials called perovskites, influencing their optoelectronic properties and their ability to emit light at specific energies.
A fruitful collaboration between experimental and theoretical teams
This research, published in the journal Nature Chemistry, is the result of close collaboration between several experimental and theoretical teams from Duke University and Purdue University. The experimental teams synthesize the materials and characterize their properties, while the theoretical team performs computer simulations to predict the electronic structure and properties of the materials.
“We have invested almost 20 years to be able to do these types of calculations in larger systems,” said Volker Blum, an associate professor of mechanical engineering and materials science at Duke. “This study involved simulating structures of up to about 900 atoms using advanced methodology, requiring powerful supercomputers capable of performing some of the largest calculations on the planet. »
Perovskites: Materials with unique properties
Perovskite materials are a class of compounds that have attracted great interest in materials science due to their unique properties, particularly in the field of semiconductors.
These materials are characterized by their specific crystal structure and can be used in applications such as light-emitting diodes (LEDs), solar cells and lasers.
Precise control of the perovskite structure
The article focuses on improving the structural control of multilayer perovskite materials by incorporating organic semiconductors. According to the results, organic components added to inorganic layers affect semiconductor properties such as energy levels and light emission. By carefully controlling the arrangement of atoms and the number of layers in these structures, researchers can tailor the optical and electronic properties of the resulting material.
Her research also addresses challenges in synthesizing these materials, including the need to mix different components that do not easily dissolve in the same solvent.
“It’s like taking salt and olive oil and trying to mix them with water,” says Blum. “One dissolves and the other doesn’t. Our collaborators were able to find a way to bring the two into solution and dry them into ordered crystals, and we were able to model these crystals to explain how they work. »
synthetic
Researchers at Duke University and Purdue University have succeeded in controlling the arrangement of inorganic and organic layers in perovskite materials, thereby controlling the optoelectronic properties of these materials. This advance opens the door to new applications in semiconductors, including LEDs, solar cells and lasers.
For better understanding
What is a Perovskite Material?
A perovskite material is a compound defined by its specific crystal structure. It has unique properties, particularly in the semiconductor sector, and can be used in applications such as LEDs, solar cells and lasers.
What innovation does this research bring?
Researchers have developed a technique for controlling the arrangement of inorganic and organic layers in perovskite materials, making it possible to control the optoelectronic properties of these materials.
What challenges are associated with synthesizing these materials?
Synthesizing these materials presents challenges, such as the need to mix different components that do not easily dissolve in the same solvent.
What are the possible applications of this discovery?
This discovery could pave the way for new applications in semiconductors, including LEDs, solar cells and lasers.
Caption: Computer-generated diagram of the atomic structure of the new class of perovskites. Photo credit: Volker Blum, Duke University
“Thickness control of perovskites with integrated organic semiconductors.” Jee Yung Park, Ruyi Song, Jie Liang, Linrui Jin, Kang Wang, Shunran Li, Enzheng Shi, Yao Gao, Matthias Zeller, Simon J. Teat, Peijun Guo, Libai Huang, Yong Sheng Zhao, Volker Blum and Letian Dou. Nature Chemistry, August 31, 2023. DOI: 10.1038/s41557-023-01311-0
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