Publications

Electrochemical Properties of Naphthalene Diimide

Hanmei’s co-author paper with the Chen and Lipomi groups on “Understanding the Electrochemical Properties of Naphthalene Diimide: Implication for Stable and High-Rate Lithium-Ion Battery Electrodes” has just been published in Chemistry of Materials. In this work, we investigate the redox-active organic molecule, 1,4,5,8-naphthalenediimide (NDI), as a low-cost, high-abundance alternative to transition metal-based electrodes for lithium-ion batteries. Hanmei’s contribution is in using the latest SCAN functional combined with the HSE functional to identify the stable Li intercalation sites and compute the voltage profile of NDI, which are in excellent agreement with the experiments from the Chen group.