Atomic- and Molecular-Scale Analysis of Functional Materials for Advanced Energy Applications

Dear Colleagues,

Molecular engineering of advanced functional materials for energy resources focus on understanding how atomic and molecular-scale interactions govern the output performance of advanced materials used in energy generation, conversion, storage, and sensing, including but not limited to triboelectric nanogenerators, piezoelectric nanogenerators, electrochemical sensors, biosensors, supercapacitors, batteries, micro-supercapacitors, self-powered storage and sensing systems, and solar cells. By examining structural, electronic, and chemical properties of advanced functional materials, researchers can design materials with enhanced efficiency and stability for advanced energy applications. Techniques such as density functional theory (DFT) help reveal how molecular arrangements influence charge transport, catalytic activity, and energy band alignment. Furthermore, sustainable materials derived from bio-waste or recycled sources are increasingly explored to meet green energy goals. These molecular-level insights not only accelerate the discovery of high-performance advanced materials but also contribute to the development of next-generation energy systems that are efficient, cost-effective, and environmentally friendly. Overall, molecular studies bridge the gap between material design and real-world energy applications. State-of-the-art research on molecular engineering of advanced functional materials for energy applications from experts all over the world is welcome for this Special Issue.

Dr. Qazi Muhammad Saqib
Guest Editor

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