The doping-defect interplay in carbon capturing materials: from atomic design to practical feasibility

Abstract

The efficiency of carbon capture and storage (CCS) materials can be significantly enhanced through precise atomic-level optimization, particularly by harnessing the synergistic interplay between doping and defect engineering. This review examines a range of doping strategies, including metal, non-metal, and co-doping, and their roles with various defects such as oxygen vacancies and structural defects for the efficient capture of CO2. Although defects can be induced through a number of alternative means (such as chemical reduction and post-synthetic modification), doping offers a controllable pathway to tailor defect characteristics for targeted performance. The interaction between dopants and defects can help impart superior CCS performance under realistic operational conditions by modifying the electronic structure, increasing active site density, and strengthening CO2 binding strength. The review further explores how these atomic-scale modifications impact the stability and durability of CCS materials in real-world adsorption applications. The review culminates in a critical analysis of existing barriers and a forward-looking perspective, proposing essential research initiatives to unlock the full potential of next-generation CCS materials for efficient and sustainable carbon capture.