Raman Kumar, Ankit Sharma, Gitanjali Gupta, ANURAG SINHA, Anant Prakash Agrawal, Vivek John, Aseel Smerat, A Bhowmik, Saifullah Khalid
Transitioning toward global carbon neutrality requires developing energy conversion and storage technologies that surpass current solutions in efficiency, durability, and scalability. In this context, nanocatalysts have emerged as indispensable for advancing clean energy systems, owing to their tunable surface chemistry, structural diversity, and potential for defect engineering. In this review, we present a reproducible roadmap that links nanoscale design strategies to practical applications and eventual industrial adoption. Beginning with fundamental design approaches including morphology manipulation, alloying, heterostructuring, and hierarchical architectures, the review outlines how these strategies enhance electrocatalytic activity, specificity, and stability. The discussion further encompasses nanocatalyst applications in water splitting for sustainable hydrogen production, fuel cells for efficient electrochemical conversion, and advanced energy storage technologies, including batteries, supercapacitors, and hybrid systems. From an industrial perspective, the review also examines scalable synthesis, electrode fabrication, techno-economic evaluation, and life-cycle assessment. Distinct from previous reviews, this work emphasizes the role of artificial intelligence and machine learning in accelerating catalyst development through high-throughput discovery, predictive modeling of catalytic performance, and digital twin-based durability assessment. By integrating nanoscale innovations with pathways for industrial translation, this review provides a comprehensive roadmap for deploying nanocatalyst technologies at scale within renewable energy infrastructure. These insights are critical for mitigating greenhouse gas emissions and fostering sustainable, cost-effective, and commercially viable clean energy technologies.