Unveiling the Structure-Function Synergies in Ternary Sulfide Photocatalysts for Highly Selective CO2 Reduction to Ethylene: Part 1 Mode X (Ni K-edge and Zn K-edge) (2026)
Abstract
The project investigates two novel 2D ternary metal sulfide photocatalysts, ZnInxSy and NiInxSy, which exhibit record-high electron selectivities for CO2-to-C2H4 conversion (93% and 97%, respectively). While sharing similar nanosheet morphology, they show distinct activity-selectivity profiles. We propose to use Zn, Ni, and In K-edge XAS to quantify the local coordination environments and valence states of these metal sites. By integrating quasi-in-situ XAS of post-reaction samples at different time intervals, we aim to track structural evolution during catalysis, providing essential experimental constraints for DFT mechanistic models.
