Tracking the Evolution of Single-Atom Catalysts for the CO₂ Electrocatalytic Reduction Using Operando X-ray Absorption Spectroscopy and Machine Learning.

ABSTRACT: Transition metal-nitrogen-doped carbons (TMNCs) are a promising class of catalysts for the CO₂ electrochemical reduction reaction. In particular, high CO₂-to-CO conversion activities and selectivities were demonstrated for Ni-based TMNCs. Nonetheless, open questions remain about the nature, stability, and evolution of the Ni active sites during the reaction. In this work, we address this issue by combining operando X-ray absorption spectroscopy with advanced data analysis. In particular, we show that the combination of unsupervised and supervised machine learning approaches is able to decipher the X-ray absorption near edge structure (XANES) of the TMNCs, disentangling the contributions of different metal sites coexisting in the working TMNC catalyst. Moreover, quanti

SUBMITTER: Martini A 

PROVIDER: S-EPMC10416299 | biostudies-literature | 2023 Aug

REPOSITORIES: biostudies-literature