Designing Nanostructured Materials for Enhanced Carbon Dioxide Capture Efficiency

Abstract

Rising concentrations of atmospheric carbon dioxide (CO2) are a principal driver of climate change, necessitating advanced carbon capture technologies that are efficient, scalable, and cost effective. Nanostructured materials, with their high specific surface areas, tunable pore structures, and unique physicochemical properties, offer promising strategies for improving CO2 adsorption, separation, and utilization. This research examines the design principles, performance optimization, and efficiency of nanostructured CO2 capture materials such as porous carbons, metal organic frameworks (MOFs), hybrid nanocomposites, and functionalized nanomaterials. Understanding how nanostructure design influences CO2 uptake, selectivity, and regeneration energy is critical for developing next generation capture systems that can mitigate emissions from industrial sources and direct air capture processes. This thesis integrates literature on nanomaterial synthesis, adsorption mechanisms, pore structure optimization, and functionalization strategies, drawing on recent advances in porous carbon technologies and hybrid systems. Porous carbons with hierarchical nanostructures can achieve high surface areas and selective adsorption through controlled pore sizes and surface chemistries. MOFs with tunable frameworks provide opportunities for targeted CO2 binding and rapid kinetics, while hybrid nanocomposites combine the advantages of multiple material classes. Functionalization with amine or other active groups further enhances selective CO2 affinity. Using a mixed methodological approach, this study operationalizes constructs such as surface area, pore volume, functional group density, adsorption capacity, and regeneration efficiency. Data are obtained from synthesis experiments, adsorption isotherms, and performance tests under varying temperature and pressure conditions. SmartPLS structural equation modeling (SEM) is applied to assess relationships among nanostructural design features and CO2 capture efficiency metrics. Measurement model assessments show high reliability and validity for latent constructs such as nanostructure quality and capture performance. Structural model results indicate substantial positive effects of surface area and functionalization on adsorption capacity, while pore structure optimization significantly influences selectivity and regeneration energy. Hybridization effects are mediated through enhanced interaction sites and improved mass transport dynamics. Findings support design frameworks that prioritize hierarchical porosity, tailored surface chemistries, and multifunctional hybrid structures to maximize capture efficiency while minimizing energy penalties. The results have implications for industrial implementation, suggesting pathways for synthesizing scalable, high performance nanostructured adsorbents. Future work should explore long term stability under cyclic capture release conditions and techno economic analyses for real world deployment.