<P>We have designed seven efficient sensitizers based on the zinc-porphyrin structure for dye sensitized solar cells (DSSCs). The geometries, electronic properties, light harvesting efficiency (LHE), and electronic absorption spectra of these se...
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https://www.riss.kr/link?id=A107686826
2013
-
SCOPUS,SCIE
학술저널
10973-10979(7쪽)
0
상세조회0
다운로드다국어 초록 (Multilingual Abstract)
<P>We have designed seven efficient sensitizers based on the zinc-porphyrin structure for dye sensitized solar cells (DSSCs). The geometries, electronic properties, light harvesting efficiency (LHE), and electronic absorption spectra of these se...
<P>We have designed seven efficient sensitizers based on the zinc-porphyrin structure for dye sensitized solar cells (DSSCs). The geometries, electronic properties, light harvesting efficiency (LHE), and electronic absorption spectra of these sensitizers are studied using density functional theory (DFT) and time-dependent density functional theory (TD-DFT) calculations. We found that the designed sensitizers have smaller HOMO–LUMO energy with broadened and red-shifted absorption bands (300–1100 nm) having high molar extinction coefficient compared to the so far known best sensitizer (YD2-o-C8). The position of HOMO–LUMO energy level of these sensitizers ensures a positive effect on the process of electron injection and dye regeneration. Our theoretical calculations reveal that the new sensitizer can be used as a potential sensitizer for DSSCs compared to YD2-o-C8.</P><P><B>Graphic Abstract</B>
<IMG SRC='http://pubs.acs.org/appl/literatum/publisher/achs/journals/content/jpcafh/2013/jpcafh.2013.117.issue-42/jp408473k/production/images/medium/jp-2013-08473k_0006.gif'></P><P><A href='http://pubs.acs.org/doi/suppl/10.1021/jp408473k'>ACS Electronic Supporting Info</A></P>