Xiaohui Qu

X-Ray spectroscopy is a premier tool to probe material structures. High-throughput or _In-Situ_ experiment encodes spatial or temporal structural variations in a sequence of spectra. Multivariate Curve Resolution - Alternating Least Squares (MCR-ALS) is an old technology to decompose the sequence…

Kinetics of a reaction network that follows mass-action rate laws can be studied with a system of ordinary differential equations (ODEs) with polynomial right-hand side…

X-ray absorption near-edge structure (XANES) spectroscopy is a premier tool for probing material structure at the atomic level…

X-ray absorption near edge structure (XANES) is a premier tool to probe material structures. However, the relationships between spectrum shape and material structures are challenging to explore beyond the first coordination shell…

Understanding the transient behaviors of chemical reactions can provide additional pathways to better catalysis. This work presents a method to derive physical interpretations for surface reactions from time-resolved gas-pulsing infrared experiments…

Colloidal nanoparticles play a crucial role in diverse applications across catalysis, photonics, and energy storage…

Improper disposal of lithium-ion batteries has become a growing environmental concern given that damaged batteries can leak various toxic substances. Specifically, metal cations can leach from oxides that comprise the battery cathode and form toxic aqueous species…

Complex Metal Oxides (CMOs) are commonly used materials in current battery technology as well as other energy-related applications. While the function of these materials has been optimized through targeted research, unanticipated problems arise when CMOs reach their end of life…

X-ray absorption near edge structure (XANES) is a premier tool to probe the electronic structure of materials. However, the relationships between XANES spectrum shape and material structures are hidden in complex data…