Research Projects

This proposal targets two major challenges in contemporary materials chemistry: (1) the development of molecular materials for clean energy technologies, and (2) the creation of molecular systems for quantum information processing (QIP). Traditionally explored through bulk or condensed matter systems, these areas are now shifting toward molecular-scale solutions due to the need for device miniaturization and performance optimization. Track 1 focuses on synthesizing stoichiometric and non-stoichiometric metal phosphates using a simple, low-temperature route based on organophosphate-derived single-source precursors (SSPs). These SSPs decompose below 200 °C and offer a non-evasive route to phase-pure materials and enables precise control over structure and composition to yield desired M’:M”:P compositions, critical for designing efficient cathode materials for rechargeable batteries. These materials offer stability and sustainability, though limited conductivity and activity remain key challenges. This scalable method enables the design of high- performance materials by including electronic structure tuning and atomic-level metal mixing for batteries while deepening mechanistic insights into metal–phosphate synergy. Track 2 focuses on synthesizing molecular qubits that offer tunability, reproducibility, and qubit array formation, making them promising for quantum computing. Their ability to function as qudits enables multi- level quantum information storage. However, precise electron spin alignment remains challenging, requiring extreme conditions. Ligand electronic and steric effects play a key role in improving coherence times at higher temperatures. This study explores ligand modifications to enhance qubit performance by synthesizing and evaluating metal complexes with phosphonate and phosphonamide ligands, investigating NDI-based metal complexes for redox effects on coherence time, developing self-assembled 2D and 3D qubit arrays, and analyzing g-value anisotropy to reduce magnetic relaxation. It is hypothesized that ligand modifications improve coherence times by minimizing nuclear spin interactions, shielding metal centers, and enabling periodic structures for device integration. The experimental approach includes synthesizing and screening metal complexes, conducting redox studies, and integrating high-performing complexes onto silicon surfaces. This research advances ligand-controlled qubit coherence, bridging isolated molecular qubits to scalable quantum architectures. Developing 2D and 3D qubit arrays could significantly enhance practical quantum technologies.