NEXT-GENERATION NANOMATERIAL- BASED ENERGY SYSTEMS FOR EFFICIENT POWER CONVERSION COMPUTATIONAL MODELING APPROACHES

Abstract

Abstract: As the world needs sustainable energy solutions more than ever, research on new materials with the potential for better energy generation, storage, and conversion efficiency has surged. Of these innovations, next-generation nanomaterials have kept their wares showing great potential for future applications in energy systems to improve energy system performance, mainly on basis of their unique properties and applications in the fields of structure, electrical, thermal and optical properties. Applications of nanomaterial based energy systems such as solar energy conversion, fuel cells, thermoelectric devices, batteries, supercapacitors, and hydrogen energy technologies have shown great potential. The incorporation of the nanomaterials can contribute to better charge transfer, increased surface area, decreased energy losses, and increased conversion efficiencies, in comparison to traditional materials technologies. The complexity of nanoscale interactions and material behaviors, however, poses a great challenge in investigating the phenomena by experiment alone. Therefore, computational modelling techniques are playing a vital role in predicting material properties, optimizing the device performance and in speeding up the development of advanced energy technologies. Among various methods, density functional theory, molecular dynamics simulations, finite element analysis, machine learning algorithms, as well as multiscale modeling all offer useful insights about phenomena at the nanoscale and play a vital role in the design of efficient energy systems. This research investigates the energy conversion technology with next generation of nanomaterials and considers the contribution of computational approaches to the enhancement of system performances and materials optimization. The research reviews recent advancements, technological opportunities, emerging trends with respect to energy systems based on nanomaterials and the importance of computational technologies to problems in energy. The results illustrate the role that advanced materials and simulation techniques can play in the quest for more efficient, sustainable and innovative energy solutions.