Sense-Capture-Destroy-Regenerate: A multi-stimuli molecular strategy for autonomous removal of emerging micropollutants from wastewater

Objetivo

Wastewater increasingly carries complex mixtures of persistent micropollutants (PFAS, pharmaceuticals) that defeat passive media, causing incomplete removal. The missing science is not another adsorbent, but modules that actively “decide” when and how to act, based on materials that couple molecular recognition to on-demand activation. I propose that logic-gated, multi-stimuli-responsive polymer-oxide hybrids, embedded in 4D-printed architectures, autonomously sense-capture-destroy-regenerate in realistic matrices, achieving complete removal at ng/L while improving energy efficiency and long‑cycle stability. These multi-responsive materials “sense” pollutants and reconfigure their surface chemistry and structure to selectively capture and degrade them. We will elucidate the synergy between polymers and high-entropy oxides in response to internal (the pollutant itself) and external (e.g. light, pH) stimuli, how time-dependent architectural changes influence pollutant capture, mass transfer, and degradation, STELLAR integrates three synergistic advances: (i) a machine learning/density functional theory (ML/DFT) discovery loop to rationally design and link electronic structure and architecture to adaptive functionality; (ii) decision making materials that switch between adsorption and photocatalysis in response to environmental cues and (iii) reconfigurable 4D-printed morphing modules that enhance performance and enable regeneration through multi-stimuli-induced conformational changes. Validation of these concepts in realistic wastewater matrices will demonstrate selective removal, regeneration, and sustained process adaptability, while fundamental relationships between stimuli, structure and the system function will be uncovered via mechanistic studies. Beyond water treatment STELLAR will open entirely new avenues in catalysis, sensing, and intensified processes. STELLAR will thus lay the scientific foundations for a new generation of environmental technologies.