PHYSICS-GUIDED DESIGN AND FUNCTIONALIZATION OF ADVANCED NANOMATERIALS FOR EMERGING TECHNOLOGICAL APPLICATIONS

Abstract

The rational design of advanced nanomaterials has increasingly shifted from empirical trial-and-error approaches toward physics-guided methodologies rooted in fundamental principles governing matter at the nanoscale. Phenomena such as quantum confinement, surface and interface energetics, strain effects, and nanoscale transport dictate the unique properties of nanomaterials and enable their precise engineering for targeted applications. Coupled with advanced surface functionalization strategies, physics-guided design allows systematic tuning of structure–property–function relationships. This review presents a comprehensive overview of the physical foundations underlying nanomaterial behavior, modern computational and experimental design strategies, functionalization techniques, and their integration into emerging applications including energy conversion, electronics, catalysis, biomedicine, and environmental remediation. Current challenges and future directions toward scalable, sustainable, and predictive nanomaterial engineering are also discussed.