Advancements in Materials Science and Nanotechnology have led to breakthroughs in several disciplines, including energy storage devices, portable electronics, and sustainable electrocatalysis. Despite the huge success, several roadblocks limit the development of advanced materials for several practical applications. Therefore, modifications of these materials and a rigorous understanding of the entire system are essential to make them viable alternatives. The thesis is split into three major sections with each part discussing the chemistries of the synthesized materials, their properties, and their influence in respective applications. In the first part of this thesis, an electrolyte formulation was studied for higher temperatures Li-ion batteries. In addition, bifunctional material additives were introduced for alternate high energy density cathodes. The second part of the thesis discusses a technique to fluorinate layered hexagonal boron nitride. Fluorination of hBN leads to major structural and electronic changes, suggesting an effective thermal transport medium for future electronics. In the third section, defect-rich functional materials are derived using atomic layer deposition for electro. Finally, facile synthesis methods are suggested to develop smart and sustainable composites for specific applications. Overall, this thesis presents several processing techniques to derive advanced high-performance materials, their careful investigation, and their utilization in energy storage, electronics, & structural applications.