Imaging, Manipulation, and Control of Molecular Quantum Systems

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The ability to visualize, break, and make individual chemical bonds with control and selectivity in space and time would significantly advance modern chemical science. A thorough description of the weak interactions associated with the forces between molecules remains challenging. With support from the Chemical Measurement and Imaging Program in the Division of Chemistry, Professor Wilson Ho and Professor Ruqian Wu at the University of California-Irvine carry out laboratory and computational research that seeks a deeper understanding of chemical interactions within and between molecules on metal surfaces at very low pressures. By taking information gained from experiments using a microscope that can give images of molecules with sub-atom precision ("itProbe") and using it in parallel with computer-aided visualization and simulation methods, Dr. Ho's team is probing the basic interactions between molecules and how those weak interactions are impacted by conditions that typically lead to changes in chemical properties, such as heat and light. Not only is the research area diverse from an expertise point of view, but the project team is dedicated to training of a wide array of researchers from many backgrounds, including undergraduates, with a focus on the recruitment of female and underrepresented students. Outreach activities are organized through the University of California-Irvine, with opportunities to work with Hispanic communities, particularly middle school students in underserved communities in southern California. Results from the research have potential for being shared via educational resources that impact a wide spectrum of users. The proposed research will provide direct visualization of chemical interactions between atoms and molecules. The integration of experimental measurements and density functional theory calculations for static and dynamic properties enables the visualization, manipulation, and control of the quantum properties in space and time of molecular systems. Such basic understandings open up opportunities for the realization of practical molecular functionalities. Results from the proposed research are of technological importance, including catalysis, energy conversion, environmental management, molecular recognition, and quantum information processing. The proposed research addresses the spatial and temporal evolutions of chemical systems by measuring and imaging time-dependent phenomena. In this way, it becomes possible to visualize, manipulate, and coherently control the molecular properties to implement quantum functionalities. Furthermore, the proposed research manipulates the positions of adsorbed molecules with the microscope to enable the construction of novel nanostructures that are not possible by other means and to provide real-space visualization of the temporal evolution of chemistry.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.