Computer Simulation of Cathode Materials for Lithium Ion and Lithium Batteries: A Review

• Published in: Energy & environmental materials (Hoboken, N.J.) Vol. 1; no. 3; pp. 148 - 173
• Main Author: Ma, Ying
• Format: Journal Article
• Language: English
• Published: Hoboken Wiley Subscription Services, Inc 01.09.2018
• Subjects: atomistic simulations; cathode; Cathodes; Computer applications; Computer simulation; Electrochemistry; Electrode materials; Energy storage; Flux density; Ions; Lithium; Lithium batteries; lithium ion battery; Lithium ions; Quantum mechanics; Rechargeable batteries; Storage batteries; Sulfur

Driven by the increasing demand for electrochemical energy storage, lithium ion and lithium batteries have been the subject of tremendous scientific endeavors for decades. However, limited energy density, which is bottlenecked by available high‐density cathode materials, has become a critical issue...