Institute for Chemical and Bioengineering

CO2 hydrogenation across the pressure gap over Ag/ZnO:Al2O3 catalysts

Abstract The hydrogenation of carbon dioxide to value-added chemicals is a major challenge. Metal-oxide interfaces and surface structures play fundamental roles and govern the selectivity of this reaction; thus, catalysts must be investigated under relevant reaction conditions to...

AI‐EXAFS: Physics‐Informed Prediction of EXAFS from Atomic Structure

ABSTRACT Understanding atomic structure across chemical systems relies heavily on extended X‐ray absorption fine structure (EXAFS) because of its sensitivity to local atomic environments. However, quantitative interpretation remains inherently iterative, requiring structural para...