C. Wolverton

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…

cond-mat.mtrl-sci2023★ 14 cited

Phase Stability of Lead Phosphate Apatite Pb $_{10 - x}$ Cu $_{x}$ (PO $_{4}$ ) $_{6}$ O, Pb $_{10 - x}$ Cu $_{x}$ (PO $_{4}$ ) $_{6}$ (OH) $_{2}$ , and Pb $_{8}$ Cu $_{2}$ (PO $_{4}$ ) $_{6}$

Jiahong Shen, Dale Gaines, Shima Shahabfar +8

Recently, Cu-substituted lead apatite LK-99 was reported to have room-temperature ambient-pressure superconductivity. Here we utilize density functional theory (DFT) total energy a…

Tailored ordering enables high-capacity cathode materials

Phase Stability of Lead Phosphate Apatite Pb10−x​Cux​(PO4​)6​O, Pb10−x​Cux​(PO4​)6​(OH)2​, and Pb8​Cu2​(PO4​)6​

Phase Stability of Lead Phosphate Apatite Pb $_{10 - x}$ Cu $_{x}$ (PO $_{4}$ ) $_{6}$ O, Pb $_{10 - x}$ Cu $_{x}$ (PO $_{4}$ ) $_{6}$ (OH) $_{2}$ , and Pb $_{8}$ Cu $_{2}$ (PO $_{4}$ ) $_{6}$