Journal
ADVANCED MATERIALS
Volume 34, Issue 16, Pages -Publisher
WILEY-V C H VERLAG GMBH
DOI: 10.1002/adma.202107900
Keywords
data mining; organic photonic materials; terahertz generation
Categories
Funding
- Simmons Research Fund
- National Science Foundation Division of Materials Research (DMR) [2104317]
- Division Of Materials Research
- Direct For Mathematical & Physical Scien [2104317] Funding Source: National Science Foundation
Ask authors/readers for more resources
By combining data mining with density functional theory calculations, a new approach to discovering and developing organic nonlinear optical crystals that produce intense pulses of terahertz radiation has been demonstrated. The new materials discovered and characterized through this approach outperform the current state-of-the-art organic terahertz generation crystals.
A data mining approach to discover and develop new organic nonlinear optical crystals that produce intense pulses of terahertz radiation is demonstrated. The Cambridge Structural Database is mined for non-centrosymmetric materials and these structural data are used in tandem with density functional theory calculations to predict new materials that efficiently generate terahertz radiation. This enables us to (in a relatively short time) discover, synthesize, and grow large, high-quality crystals of four promising materials and characterize them for intense terahertz generation. In a direct comparison to the current state-of-the-art organic terahertz generation crystals, these new materials excel. The discovery and characterization of these novel terahertz generators validate the approach of combining data mining with density functional theory calculations to predict properties of high-performance organic materials, potentially for a host of exciting applications.
Authors
I am an author on this paper
Click your name to claim this paper and add it to your profile.
Reviews
Recommended
No Data Available