DURIP- A SINGLE-CRYSTAL DIFFRACTOMETER FOR THE STRUCTURAL ANALYSIS OF PHOTOCATALYSTS FOR HYDROGEN PRODUCTION AND ORGANIC MULTICOMPONENT FERROELECTRIC CRYSTALS
Abstract
A fundamental objective of chemistry is the understanding of the structures and chemical bonding in existing and man-made substances, which heavily relies on X-ray crystallography and X-ray diffraction techniques. The iteration of materials design, synthesis and the characterization of relevant solid-state properties leading to advanced materials with tailored applications relies on the full characterization of the structures of new materials. Crystal structure analysis is essential for the formulation of structure-property relationships, including the calculation of many material properties, and for fine-tuning the synthetic approaches used for the preparation of the materials designed. This project proposes the acquisition of a single crystal X-ray diffraction system, and its use in research and educational activities at the Department of Chemistry and Biochemistry at Old Dominion University (ODU), a research-extensive university. The instrument will support various departmental research programs of interest to Department of Defense (DoD) missions. Holder’s laboratory focuses on the synthesis and solid-state characterization of transition metal complexes of earth-abundant metals with applications in artificial photosynthesis and solar energy conversion. These are research areas of enormous promise. The use of sunlight to make solar fuels such as H2 (from H2O splitting) and CH3OH (by reducing CO2) is one of the Holy Grails of 21st century chemistry. In particular, many researchers are hoping that such a proposed approach would produce green hydrogen, with zero-carbon byproducts and greenhouse gas emission. For this purpose, multinuclear coordination complexes containing cobalt and ruthenium (as the photosensitizer center) are sought for H2 generation from H+ in entirely aqueous solutions via homogeneous conditions, a current challenge in this area of research. Pagola’s research work focuses on the mechanochemical synthesis and solid-state characterization of multicomponent organic ferroelectric crystals. A series of binary and ternary organic cocrystals has been designed using crystal engineering principles extracted from current scientific literature. The materials will be synthesized by mechanochemistry in a ball mill. This green synthetic approach reduces the use of harmful solvents and generated waste. Ongoing kinetic studies will lead to a through mechanistic understanding of mechanochemical reactions, currently lacking. The solid-state properties study will be initiated with crystal structure analysis and the identification of phase transitions at low temperatures, optimally leading to new organic ferroelectrics. Flexible, light-weight materials of this type might find applications in extreme aerospace environments, among others. The X-ray single crystal diffractometer will also provide excellent training in single crystal Xray diffraction and X-ray crystallography for undergraduate and graduate students (many of them underrepresented minorities in STEM, including Maximizing Access to Research Careers (MARC) Trainees), while complementing our existing X-ray powder diffraction capabilities for crystalline phase identification, a Bruker D2 Phaser X-ray powder diffractometer with LynxEye silicon strip detector, and ongoing access to high resolution synchrotron X-ray powder diffraction at the 11-BM beamline, Advanced Photon Source, Argonne National Laboratory, for crystal structure determination from powder diffraction. Student training on the application of X-ray diffraction techniques, crystal structure analysis, the formulation of structure-property relationships and the optimized synthesis of novel materials with expected applications will contribute to achieving a skilled workforce in research areas of DoD interest at ODU and several higher-education institutions of the Hampton Roads.
Document Details
- Document Type
- DoD Grant Award
- Publication Date
- Mar 07, 2023
- Source ID
- FA95502210170
Entities
People
- Silvina Pagola
Organizations
- Air Force Office of Scientific Research
- Old Dominion University
- United States Air Force