New paper on in situ XANES of ALD processes

Our new paper “Elucidating the Evolving Atomic Structure in Atomic Layer Deposition Reactions with In Situ XANES and Machine Learning” is published in Chemistry of Materials. In this paper, we perform in situ synchrotron x-ray absorption analysis of ALD reactions in the initial cycles. Wee introduce a new platform for high-throughput screening of thousands of possible atomic configurations in first-principles models to fit the XANES spectra, demonstrating a synergistic approach that leverages machine learning techniques for atomic-scale modeling of surface chemistry. [link]