Designing high-voltage carbonyl-containing polycyclic aromatic hydrocarbon cathode materials for Li-ion batteries guided by Clar's theory
Abstract
We examined the correlation between the electron delocalization (aromaticity) and the lithiation voltage of carbonyl-containing polycyclic aromatic hydrocarbons by computations.
Document Details
- Document Type
- Pub Defense Publication
- Publication Date
- Jan 01, 2015
- Source ID
- 10.1039/c5ta05437k
Entities
People
- Dihua Wu
- Panwen Shen
- Zhaojun Xie
- Zhen Zhou
- Zhongfang Chen
Organizations
- Army Research Office
- National Natural Science Foundation of China
- National Science Foundation
- School of Materials, University of Manchester
- United States Army
- University of Puerto Rico
- Yusuf Hamied Department of Chemistry