1 citations · 2 across the 5 of their papers we have counts for
5 papers
Discovering Melting Temperature Prediction Models of Inorganic Solids by Combining Supervised and Unsupervised Learning
Vahe Gharakhanyan, Luke J. Wirth, Jose A. Garrido Torres +5
The melting temperature is important for materials design because of its relationship with thermal stability, synthesis, and processing conditions. Current empirical and computatio…
Layered-to-Spinel Phase Transformation in LiNiO from First Principles
Cem Komurcuoglu, Alan C. West, Alexander Urban
The phase transition layered LiNiO to spinel Li(NiO) is a potential degradation pathway in LiNiO-based lithium-ion battery cathodes. We investigated the mec…
Understanding how off-stoichiometry promotes cation mixing in LiNiO
Cem Komurcuoglu, Yunhao Xiao, Xinhao Li +4
Although LiNiO is chemically similar to LiCoO and offers a nearly identical theoretical capacity, LiNiO and related Co-free Ni-rich cathode materials suffer from degrad…
Constructing and Compressing Global Moment Descriptors from Local Atomic Environments
Vahe Gharakhanyan, Max Aalto, Aminah Alsoulah +2
Local atomic environment descriptors (LAEDs) are used in the materials science and chemistry communities, for example, for the development of machine learning interatomic potential…
Atomic Insights into the Oxidative Degradation Mechanisms of Sulfide Solid Electrolytes
Chuntian Cao, Matthew R. Carbone, Cem Komurcuoglu +15
Electrochemical degradation of solid electrolytes is a major roadblock in the development of solid-state batteries, and the formed solid-solid interphase (SSI) plays a key role in…