Theoretical and Experimental Study of Ionic Liquid-mediated Small Molecule Selective Adsorption
Abstract
Here we propose to conduct fundamental research, with strong involvement of undergraduate students at Xavier University of Louisiana (XULA), investigating the adsorption and catalysis of small molecules at metal oxide/semiconductor (SC) surfaces within ionic liquid (IL) environments. This research involves many facets of chemical and physical science, comprising computational, analytical, electro-, and material chemistry, offering undergraduates opportunities to learn many distinct skills. Our primary aim is to elucidate the interface interactions and to demonstrate how newly devised interfaces can be used for gas selective adsorption and conversion. Currently, the nature of small molecule adsorption within IL is still poorly understood. This research offers opportunities to observe physical/chemical adsorption phenomena by manipulating the structure of the IL electrode interface, thereby optimizing the selective adsorption by fine physical/chemical control. The development of knowledge and understanding pertaining to adsorption mechanism and interface structure is a critical step towards the design of devices, such as gas sensors that can be used in the detection of small molecules of significance in industrial, atmospheric, and military/public-safety settings. Importantly, the IL-based sensors have great potential in detection of explosives, such as DNT and TNT. In order to establish this knowledge, it is critical that we understand how the physicochemistry of ILs works on the electric interface and that we develop new ideas as to how to utilize this new interface in order to enhance current techniques. The proposed research aims to address these issues by using computational chemistry, electrochemistry and analytical chemistry techniques to characterize IL interfaces and determine how the parameters of this interface can be manipulated in order to achieve the selective adsorption. Anticipated outcomes and contribution to the DoD mission: This project will establish and test new means to theoretically and experimentally study gas selective adsorption and activation behavior on the IL electrode interface. By conducting the proposed computational and electrochemical studies, we will establish new concepts for understanding the physical and chemical properties of this unique interface and develop new and powerful methodologies for selective adsorption. Establishment of such understanding and techniques is extremely important in the development of next-generation gas sensors, SC devices, catalytic material and new separation systems, which all promise to be of great utility in military, environmental, and industrial settings. We expect to contribute to the ARO Chemical SciencesÕ desire to Òdiscover and understandÓ [processes] Ògoverning molecules and their interactionsÓÉÓsuch as new protective and responsive materials, sensors.Ó At XULA, major emphasis is placed on undergraduate research experience as a mechanism for student education and in fostering enthusiasm for scientific research. As such, the proposed research would directly fund participation of 4 undergraduate students (each year) for the entirety of the three-year project. Additionally, other students receiving funding through internal programs would also have the opportunity to be involved in the proposed research. Thus, we expect to employ/train/mentor approximately 6 undergraduate students per year for each year of the project period.
Document Details
- Document Type
- DoD Grant Award
- Publication Date
- Mar 18, 2019
- Source ID
- W911NF1810458
Entities
People
- Zhe Wang
Organizations
- Army Contracting Command
- Office of the Secretary of Defense
- Xavier University of Louisiana