From molecular nanoarchitectonics to device integration: Coordination chemistry in next-generation photonic, electronic, and mechanical technologies

Abstract

Coordination chemistry has recently witnessed transformative advancements, bridging theoretical insights with innovative applications in molecular electronics, photonics, and mechanical systems. This review synthesizes cutting-edge developments in the design and utilization of coordination compounds, particularly highlighting their role in modern technological devices. Coordination complexes, formed through metal-ligand interactions, exhibit remarkable tunability in electronic, optical, and mechanical properties, making them indispensable in creating efficient molecular machines, light-emitting diodes (OLEDs), solar cells, and sensors. The integration of advanced computational tools such as Density Functional Theory (DFT), Molecular Dynamics (MD), and Machine Learning (ML) has empowered the rational design of materials, offering new predictive capabilities for device engineering. Key challenges, such as stability, scalability, and real-time performance, are discussed alongside strategies for overcoming these hurdles through molecular-level design and sophisticated ligand engineering. Emerging bioinspired and sustainable approaches in energy storage, catalysis, and quantum computing highlight the transformative potential of coordination chemistry in addressing global technological and environmental challenges. As research continues to evolve, the synergy between molecular coordination and modern materials science promises to redefine the boundaries of device functionality, enabling a new era of intelligent, adaptive, and energy-efficient technologies.