3 papers
physics.comp-ph2022
Driving atomic structures of molecules, crystals, and complex systems with local similarity kernels
Ziheng Lu, Wenlei Shi, Lixin Sun +2
Accessing structures of molecules, crystals, and complex interfaces with atomic level details is vital to the understanding and engineering of materials, chemical reactions, and bi…
physics.chem-ph2021
Ab initio random structure searching for battery cathode materials
Ziheng Lu, Bonan Zhu, Benjamin W. B. Shires +2
Cathodes are critical components of rechargeable batteries. Conventionally, the search for cathode materials relies on experimental trial-and-error and a traversing of existing com…
physics.app-ph2020
Modulating nano-inhomogeneity at electrode-solid electrolyte interfaces for dendrite-proof solid-state batteries and long-life memristors
Ziheng Lu, Ziwei Yang, Cheng Li +7
The penetration of dendrites in ceramic lithium conductors severely constrains the development of solid-state batteries (SSBs) while its nanoscopic origin remain unelucidated. We d…