KAUST DepartmentLaboratory for Computational and Theoretical Chemistry of Advanced Materials
Physical Sciences and Engineering (PSE) Division
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AbstractIn this chapter, we provide an overview of how noncovalent interactions, determined by the chemical structure of π-conjugated molecules and polymers, govern essential aspects of the electronic, optical, and mechanical characteristics of organic semiconductors. We begin by describing general aspects of materials design, including the wide variety of chemistries exploited to control the electronic and optical properties of these materials. We then discuss explicit examples of how the study of noncovalent interactions can provide deeper chemical insights that can improve the design of new generations of organic electronic materials.
CitationRavva MK, Risko C, Brédas J-L (2017) Noncovalent Interactions in Organic Electronic Materials. Non-Covalent Interactions in Quantum Chemistry and Physics: 277–302. Available: http://dx.doi.org/10.1016/B978-0-12-809835-6.00011-6.
SponsorsThis work has been supported in part by King Abdullah University of Science and Technology (KAUST), the KAUST Competitive Research Grant Program, and the Office of Naval Research Global (Award N62909-15-1-2003). We acknowledge the IT Research Computing Team and Supercomputing Laboratory at King Abdullah University of Science & Technology (KAUST) for providing computational and storage resources. The work at the University of Kentucky was supported by a seed grant from the Center for Applied Energy Research (CAER) and start-up funds provided by the University of Kentucky Vice President for Research. We gratefully thank Drs. Sean Ryno, Naga Rajesh Tummala, and Chris Sutton for stimulating discussions.