講演情報
[10a-E215-5]Orbital Electronic Structure and NH3 Sensing Mechanism in CoPc–Graphene System
〇(M1)Yunzhuo QU1 (1.Tokyo Univ.)
キーワード：
X-ray absorption spectroscopy、Graphene、Cobalt phthalocyanine
Graphene devices functionalized with porphyrin/phthalocyanine (Pc) molecules have attracted considerable attention for low weight gas sensing due to their high sensitivity and selectivity. However, the interfacial configuration of Pc molecules on graphene and the electronic coupling mechanism during gas sensing remain unclear. In this study, a graphene sensor functionalized with cobalt(II) 2,9,16,23-tetrakis(carboxy)phthalocyanine (CoPc) was successfully fabricated by a Steglich esterification method. X-ray absorption spectroscopic measurements (XAS/XAFS), combined with DFT calculations and FDMNES simulations, revealed the relationship between the evolution of the electronic structure and electrical properties during NH3 sensing. Analysis of the orbital contributions to the sensing response provide new insights into the rational design of sensing-layer molecules. In addition, the effects of different interfacial modifications and fabrication methods were compared, providing guidance for the development of advanced graphene-based gas sensors.