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Bulletin of the Korean Chemical Society (BKCS)

ISSN 0253-2964(Print)
ISSN 1229-5949(Online)
Volume 31, Number 10
BKCSDE 31(10)
October 20, 2010 
 
Title
 Dynamic Rapid Synthesis of Bis(2,2'-bipyridine)nitrato Zinc (II) Nitrate Using a Microwave Method and its Application to Dye-Sensitized Solar Cells (DSSC)
Author
 Youngmi Kim, Sujung Kim, Keepyung Nahm, Misook Kang*
Keywords
 Bis(2,2'-bipyridine)nitrato zinc (II) nitrate, Microwave treatment, Dye-sensitized solar cells, Photoelectric efficiency
Abstract
 This study examined the synthesis of the crystal structure of bis(2,2'-bipyridine)nitrato zinc (II) nitrate, [Zn(bipy)2 (NO3)]+NO3- using a microwave treatment at 300 W and 60 Hz for the application to dye-sensitized solar cells. The simulated complex structure of the complex was optimized with the density functional theory calculations for the UV-vis spectrum of the ground state using Gaussian 03 at the B3LYP/LANL2DZ level. The structure of the acquired complex was expected a penta-coordination with four nitrogen atoms of bipyridine and the oxygen bond of the NO3- ion. The reflectance UV-vis absorption spectra exhibited two absorptions (L-L transfers) that were assigned to the transfers from the ligand (σ, π) of NO3 to the ligand (σ*, π*) of pyridine at around 200 - 350 nm, and from the non-bonding orbital (n) of O in NO3 to the p-orbital of pyridine at around 450 - 550 nm, respectively. The photoelectric efficiency was approximately 0.397% in the dye-sensitized solar cells with the nanometer-sized TiO2 at an open-circuit voltage (Voc) of 0.39 V, a short-circuit current density (Jsc) of 1.79 mA/cm2, and an incident light intensity of 100 mW/cm2.
Page
 2923 - 2928
Full Text
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