2 citations · 2 across the 2 of their papers we have counts for
3 papers
Electron dynamics in extended systems within real-time time-dependent density functional theory
Alina Kononov, Cheng-Wei Lee, Tatiane Pereira dos Santos +10
Due to a beneficial balance of computational cost and accuracy, real-time time-dependent density functional theory has emerged as a promising first-principles framework to describe…
Kinetics-Controlled Degradation Reactions at Crystalline LiPON/Li(x)CoO(2) and Crystalline LiPON/Li-metal Interfaces
Kevin Leung, Alexander J. Pearse, A. Alec Talin +3
Detailed understanding of solid-solid interface structure-function relations is critical for the improvement and wide deployment of all solid-state batteries. The interfaces betwee…
Graphene/MoS2 van der Waals Bilayer as the Anode Material for Next Generation Li-ion Battery: A First-Principles Investigation
Towfiq Ahmed, N. A. Modine, Jian-Xin Zhu
We performed density functional theory (DFT) calculations for a bi-layered heterostructure combining a graphene layer with a MoS2 layer with and without intercalated Li atoms. Our…