Tailored Precursor Reactivity for the Colloidal Synthesis and Surface Functionalization of Phase-Pure Transition Metal Dichalcogenide Nanocrystals

With the support from the Macromolecular, Supramolecular, and Nanochemistry Program in the Division of Chemistry, Professor Alina Schimpf of the University of California, San Diego will develop new methods to synthesize and modify nanoscale materials known as transition metal dichalcogenides (TMDs). These materials have the potential to advance technologies in electronics, catalysis, and quantum information science. A key challenge in this field is reliably producing TMDs with a specific internal arrangement of atoms, known as the crystal phase, which strongly influences their properties. This research will uncover the role of precursors and growth conditions in the formation of different crystal phases. Additionally, these studies will enable the development of new strategies to tailor the surfaces of these materials, expanding their tunability. Prof. Schimpf’s laboratory will also use these studies to provide research opportunities for undergraduate students. These efforts will support workforce development by offering applied laboratory training that cultivates skills essential for careers in science and engineering. With the support from the Macromolecular, Supramolecular, and Nanochemistry Program in the Division of Chemistry, Professor Alina Schimpf of the University of California, San Diego is using colloidal chemistry to develop strategies for phase-tunable syntheses and surface functionalizations of group-VI transition metal dichalcogenides (TMDs). This research aims to understand the influence of precursors and ligands in governing reactivity, phase conversion, and surface binding in the formation of TMDs. Three primary aims include: (1) determining the influence of phosphine ligands on precursor reactivity by isolating and modifying kinetically persistent intermediates; (2) designing chalcogen and metal precursors to direct phase formation, including the use of functional ligands to promote interlayer interactions and suppress unwanted conversion; and (3) establishing methods for tunable surface functionalization through in-situ and post-synthetic ligand binding. The resulting molecular-level insight into phase control and surface chemistry will enable scalable syntheses of high-quality, phase-pure TMDs and inform broader synthetic approaches to metastable TMDs and related inorganic nanomaterials. These insights will be used to hone design principles and iteratively add complexity, advancing bottom-up strategies for functional materials in catalysis, optoelectronics, and quantum applications. This award reflects NSF's statutory mission and has been deemed worthy of support through evaluation using the Foundation's intellectual merit and broader impacts review criteria.