LEAPS-MPS: Tunable Hybrid Materials for Studying Charge Transport

This award is funded in whole or in part under the American Rescue Plan Act of 2021 (Public Law 117-2). Non-Technical Summary

Improvements in current solar energy conversion technologies are needed to meet the predicted 150% growth in global energy demand by 2050. With this LEAPS-MPS project, the PI is investigating the tunability of charge transport in thin films of hybrid metal-organic materials. Information obtained from this research will be useful in determining the structure-property relationships governing important charge transport-related processes and contribute to the rational design of materials for photovoltaic devices.

Photovoltaics is considered one of the most promising technologies for meeting global energy demands. The research is conducted at a primarily undergraduate institution. It engages a diverse array of undergraduate students, including women, first generation college students (FGCS), and underrepresented minorities (URM) in high-impact research experiences both in teaching and research laboratories.

To increase student participation in the STEM pipeline, the PI develops two remotely accessible laboratory activities for chemistry and biochemistry majors as part of this project. Additional activities include mentoring FGCS and URM students, and conducting online outreach workshops for local Girl Scouts (grades 4-8). To increase accessibility to thousands of people in the community, Prof.

So disseminates teaching materials through conference presentations, workshops, online chemical education journals, and closed-captioned, free online videos. Technical Summary

Improvements in solar energy conversion technologies require a better understanding of the structure-property relationships that govern charge transport. In this project, thin films of hybrid organic-inorganic materials, metal-organic framework (MOFs), of layered and pillared paddlewheel topologies are synthesized. The impact of the number of molecular linkers, pillars, and ionic components coordinated in MOF thin films on charge transport is quantified, and the relationship between guest molecules and charge transfer pathways in MOF films is probed using ab initio calculations and surface-sensitive spectroscopies.

The obtained thermodynamic and spectroscopic datasets provide quantitative and qualitative structure-property relationships which relate MOF structure and composition to activation energy, band gap, and conductivity. Complementary education activities integrate remotely accessible laboratory activities into upper division chemistry laboratory courses and science outreach to increase technical skills and retain underrepresented minority, first generation students, and women in the STEM pipeline.

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.