Presentation Information
[25a-31B-4]Robust Molecular Discrimination via Multipoint Interactions Between Non-polar
Molecular Skeletons and Polar Metal Oxide Surfaces
〇(D)Yue Zhang1, Jiangyang Liu1, Wataru Tanaka1, Takuro Hosomi1, Tsunaki Takahashi1, Takeshi Yanagida1,2 (1.The Univ. of Tokyo, 2.Kyushu Univ.)
Keywords:
Molecule Discrimination,Van der Waals interaction,Chemical bonding
Recently, researchers have devoted significant efforts to functionalize metal oxide gas sensors for pursuing high sensitivity and accurate target recognition properties in various applications. However, the similar chemical/physical properties of molecules which contain the same functional groups commonly are difficult to be distinguished by most of existing sensors since they share the same sensing mechanism (chemical catalytic sensing mechanism or surface reaction mechanism). To overcome such drawback, we focus on multipoint interactions between volatile organic molecules and metal oxide sensor surface, including both van der Waals interactions of aliphatic C-H and chemically functional group bonding. Our research demonstrates the non-polar aliphatic chain would enhance the bonding ability of functional groups on polar metal oxides, we named is as molecular “anchoring effect”. The theoretical calculations revealed the collective effect of skeleton chain and functional group to surface molecule anchoring. Such a discovery illustrates the importance of weak molecule-to-surface interaction, which has always been underestimated for molecular adsorption mechanism.