304 citations · 398 across the 14 of their papers we have counts for
3 papers · 1 filter
Short-Range Order and LiTM Probability Maps for Disordered Rocksalt Cathodes
Tzu-chen Liu, Steven B. Torrisi, Chris Wolverton
Short-range order (SRO) in the cation-disordered state is a controlling factor influencing the probability of finding Li tetrahedron clusters in disordered rocksalt (DRX) cat…
Tailored ordering enables high-capacity cathode materials
Tzu-chen Liu, Adolfo Salgado-Casanova, So Yubuchi +7
Newly designed Li-ion battery cathode materials with high capacity and greater flexibility in chemical composition will be critical for the growing electric vehicles market. Cathod…
Anomalous Reversal of Stability in Mo-containing Oxides: A Difficult Case Exhibiting Sensitivity to DFT+U and Distortion
Tzu-chen Liu, Dale Gaines, Hyungjun Kim +3
Accurate predictions of the properties of transition metal oxides using density functional theory (DFT) calculations are essential for the computational design of energy materials.…