Developing self-assembly strategies for the fabrication of well-defined and large area 2D coordination polymers

University Of Utah, Salt Lake City UT

Investigators

Abstract

Non-technical Summary The design of topological materials is attracting enormous research attention due to the possibility of accessing novel and exotic physical phenomena such as Mott transitions, high-temperature superconductivity, topological insulators, colossal magnetoresistance, and giant magneto-electric effects, which can be used to achieve dissipation-less quantum electronic states. With support from the Solid State and Materials Chemistry program in the Division of Materials Research, Prof. Luisa Whitakker-Brooks and her group at the University of Utah will investigate and address the challenges associated with the synthesis and crystallinity of 2D coordination polymers (2DCPs) for their potential application as topological materials. The aim is to develop synthetic routes and self-assembly strategies that can lead to defect-free 2DCP thin films with controlled crystallinity over large areas. As such, by combining computational simulations and experimental techniques, the research aims to identify the kinetic bottlenecks that contribute to defect formation during the synthesis of 2DCPs. This integrated approach provides a comprehensive understanding of the factors influencing the formation and properties of 2DCPs, not only benefiting the targeted materials but also potentially contributing to the broader family of 2DCPs. Additionally, the research project aims to create a database of electronic structures and predicted quantum properties comprising 2DCPs. This database will contribute to the understanding and characterization of 2DCPs and can serve as a valuable resource for future studies in quantum electronics. The broader community is engaged by executing two outreach activities: (1) “De la Mano de la Ciencia en el Valle” (translation: Science Frontiers in the Valley) seminar series as a means to promote and share cutting-edge science results with the Hispanic population in the Utah Valley and (2) Training high-school teachers and aiding in the development of teaching curricula through participation in the Master of Science for Secondary School Teacher (MSSST) program at the University of Utah. The latter allow for training teachers and students on materials synthesis and device fabrication to strengthen the microelectronic workforce. Technical Summary Crystalline 2D coordination polymers (2DCPs) have been predicted to be topological materials, including quantum spin/anomalous Hall insulators, topological flat bands and superconductors with a range of electromagnetic properties essential for the realization of novel quantum information systems. 2DCPs provide a tunable material platform wherein the molecular structure of building blocks and the geometry of the crystals they form can be designed using methods of organic chemistry. However, experimental studies of these materials have so far failed to confirm their predicted quantum properties. The main reason for the disappointing performance of 2DCPs as topological materials is their poor crystallinity. If the potential of 2DCPs as topological materials is to be realized, synthetic routes to thin films with markedly improved crystallinity need to be found. This project, supported by the Solid State and Materials Chemistry program in the NSF’s Division of Materials Research, seeks to identify the microscopic kinetic bottlenecks that lead to defect formation in the synthesis of 2DCPs with an integrated computational and experimental approach. The generated insight into defect formation processes is applied to develop new self-assembly strategies that allow the formation of 2DCP thin films that are defect-free over length scales exceeding tens of microns, thus unlocking their theoretical potential as topological materials. The benefits and outcomes of the proposed research efforts include (1) The development of synthetic protocols that allow for the fabrication of large-area, highly oriented 2DCP thin films with controlled defect states; (2) The creation of a database of electronic structures and predicted quantum properties of proposed 2DCPs; (3) Formulation of self-assembly strategies backed by molecular dynamics simulations and experimental data with potential application to the broader family of 2DCPs; and (4) Elucidation of electronic, thermal, and optical properties of proposed 2DCPs with a route to their application in quantum information science. The synthesis-characterization-device physics protocols proposed in this research program define the toolbox that allow us to fulfill the goal of rational materials design towards quantum electronic technologies. The knowledge gained and tools developed benefit parallel fields investigating n-type organic materials for light-emitting diodes, thin-film transistors, and photovoltaics. This research project provides unique cross-disciplinary training in materials chemistry and device fabrication to graduate and undergraduate students as well as high-school students and teachers with a closely mentored professional experience. 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.