Showing cond-mat.mtrl-sciShow all
3 papers · 1 filter
cond-mat.mtrl-sci2026
Benchmark of First-Principles Titanium K-Edge X-Ray Absorption Spectral Simulations on Titanium-containing Oxides
Chuntian Cao, Joshua J. Kas, Karol Dyro +3
X-ray absorption spectroscopy (XAS) is a powerful, element-specific probe for investigating the local structural and electronic properties of materials. However, quantitative analy…
cond-mat.mtrl-sci2025
Advancing AI-Driven Analysis in X-ray Absorption Spectroscopy: Spectral Domain Mapping and Universal Models
Nina Cao, Pavan Ravindra, Shubha R. Kharel +6
In recent years, rapid progress has been made in developing artificial intelligence (AI) and machine learning (ML) methods for x-ray absorption spectroscopy (XAS) analysis. Compare…
cond-mat.mtrl-sci2023
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…