Journal article

Publication year: 2018

Pages: 3243-3248

Journal: ChemElectroChem

Volume number: 5

Issue number: 21

ISSN: 2196-0216

DOI Link: https://doi.org/10.1002/celc.201800838

Publisher: Wiley

Abstract: 
In the last two decades, materials design in lithium-ion batteries (LIBs) based on first-principles methods has been spurred mainly by computationally demanding investigations of diffusion pathways, redox mechanisms or activation barriers for lithium-ion migration. However, hitherto an expeditious tool with conceptual simplicity that enables a priori computational screening based on thermodynamic considerations in order to propose potential candidates for the usage as electrode materials in LIBs is missing. Here, a novel method based on the application of Volcano plots from catalysis is introduced which allows assessing lithium intercalation in nano-sized electrode materials of LIBs by means of both activity and stability.

Harvard Citation style: Exner, K. (2018) Activity - Stability Volcano Plots for the Investigation of Nano-Sized Electrode Materials in Lithium-Ion Batteries, ChemElectroChem, 5(21), pp. 3243-3248. https://doi.org/10.1002/celc.201800838

APA Citation style: Exner, K. (2018). Activity - Stability Volcano Plots for the Investigation of Nano-Sized Electrode Materials in Lithium-Ion Batteries. ChemElectroChem. 5(21), 3243-3248. https://doi.org/10.1002/celc.201800838