A. Aza-crown ether functionalized silicon quantum dots as metal ion sensors B. Functionalized MoS2 quantum dots as metal ion sensors C. Theoretical study of Bn clusters in ionic liquids

• Main Authors: Yih-Tyng Lin, 林奕廷
• Other Authors: A. H. H. Chang
• Format: Others
• Language: en_US
• Published: 2018
• Online Access: http://ndltd.ncl.edu.tw/handle/7kr4mb

碩士 === 國立東華大學 === 化學系 === 107 === A. Aza-crown ether functionalized silicon quantum dots as metal ion sensors The B3LYP/LanL2DZ method was employed to calculate the binding energy between metal ions and aza-crown ether (C12H23O5N, C14H27O6N, and C14H28O5N2). The magnitudes of binding energies are found to correlate with the capability of aza-crown ether functionalized silicon quantum dots used as metal ion (K+, Na+, Mg2+,Ca2+, Sr2+, Ba2+, Mn2+) sensors. B. Functionalized MoS2 quantum dots as metal ion sensors B3LYP with LanL2DZ and QZVP were used to study the capability of three functionalized (-COOH, -NH2, and -SH) MoS2 quantum dots to detect Co2+, Cd2+and Pb2+ ion. The binding energy between the ions and MoS2 clusters was investigated to assess the sensing mechanism. C. Theoretical study of Bn clusters in ionic liquids The interactions between Boron clusters (Bn, n=6) and ionic liquid were investigated using the B3LYP/cc-pVTZ level of calculations. The likely structures and their IR and Raman spectra are obtained.