Computational characterization of charge transport resiliency in molecular solids
Abstract
Molecular systems are analyzed via the construction of a molecular graph and quantifying the resiliency for charge transport through metrics for graph centrality, in the context of charge pathways between the source and drain electrodes.
Document Details
- Document Type
- Pub Defense Publication
- Publication Date
- Jan 01, 2022
- Source ID
- 10.1039/d1me00163a
Entities
People
- Balaji Sesha Sarath Pokuri
- Baskar Ganapathysubramanian
- Chad Risko
- Ramin Noruzi
- Sean Ryno
Organizations
- Iowa State University
- National Science Foundation Directorate for Engineering
- Office of Naval Research
- University of Kentucky