First principles study of lithium nitrides as anode materials for lithium rechargeable batteries

• Main Author: Wu, Shunnian
• Other Authors: Freddy Boey
• Format: Theses and Dissertations
• Language: English
• Published: 2013
• Subjects: DRNTU::Engineering::Materials
• Online Access: https://hdl.handle.net/10356/51113
• Institution: Nanyang Technological University

Lithium nitrides have emerged as promising anode materials in lithium rechargeable batteries. First principles density functional theory (DFT) methods based on plane wave basic sets and projector augmented wave have been proven to be useful tools for lithium nitride study. In this work, we employed...