3 papers
cond-mat.mtrl-sci2026
Smoothed Boundary Method Framework for Electrochemical Simulation of Li-ion Battery Cathode with Complex Microstructure: Model, Formulation and Parameterization
Hui-Chia Yu, Bernardo Orvananos, Scott Cronin +3
Rechargeable battery electrodes have highly complex microstructures, consisting of nonuniform electrode particles, tortuous electrolyte channels, and irregular particle-electrolyte…
cond-mat.mtrl-sci2018
A Map of the Inorganic Ternary Metal Nitrides
Wenhao Sun, Christopher Bartel, Elisabetta Arca +12
Exploratory synthesis in novel chemical spaces is the essence of solid-state chemistry. However, uncharted chemical spaces can be difficult to navigate, especially when materials s…
cond-mat.mtrl-sci2016
Synthesis of a mixed-valent tin nitride and considerations of its possible crystal structures
Christopher M. Caskey, Aaron Holder, Sarah Shulda +20
Recent advances in theoretical structure prediction methods and high-throughput computational techniques are revolutionizing experimental discovery of the thermodynamically stable…