<p>Mesoporous silica has attracted significant attention as a promising material for various advanced applications, particularly in the energy sector, owing to its unique structural and functional properties. This review provides a comprehensive analysis of the morphological types, synthesis methods, and functional roles of mesoporous silica in sustainable energy systems, encompassing both energy storage and energy production systems. Two basic morphologies are highlighted, consisting of closed-channel and open-channel structures, to establish a fundamental understanding for further tailoring the properties and functions of mesoporous silica. The structure−property relationship with regard to distinctive characteristics, including light scattering, antireflective behavior, charge transport, and molecular interfaces, is discussed in detail to facilitate the synergistic functions and performance in sustainable energy applications. Potential sources for mesoporous silica production are also explored to offer key properties and benefits, considering suitability for specific applications and commercial availability. This review highlights innovative synthesis strategies, surface functionalization, and material engineering of mesoporous silica, aiming to achieve enhanced performance while promoting sustainable practices.</p> Graphical Abstract