TY - JOUR
T1 - Interaction of VOCs with pyrene tetratopic ligands layered on ZnO nanorods under visible light
AU - Sivalingam, Yuvaraj
AU - Elumalai, Palani
AU - Yuvaraj, Surya V.J.
AU - Magna, Gabriele
AU - Sowmya, Velappa J.
AU - Paolesse, Roberto
AU - Chi, Ki Whan
AU - Kawazoe, Yoshiyuki
AU - Di Natale, Corrado
N1 - Funding Information:
The author Y.S. is an international post doctoral research fellow (ID P15071) of the Japan Society for the Promotion of Science (JSPS). The authors K-W. C., and P. E. thank the Basic Science Research program through the National Research Foundation of Korea funded by the Ministry of Science, ICT and Future Planning ( NRF-2013R1A1A2006859 ) and the Ministry of Education ( NRF-2014R1A1A2007828 ). Priority Research Centers program (2009-0093818) through the NRF is also financially appreciated. The authors would like to express their sincere thanks to the crew of Centre for Computational Materials Science of the Institute for Materials Research, Tohoku University for their continuous support and help in using the SR16000 supercomputing facilities. The authors S.V.J.Y. and Y.K. like to thank HPCI-Cybermedia Center, Osaka University for providing supercomputer for computations. One of the authors (Y. K.) thank the Russian Megagrant Project (No.14.B25.31.0030) “New energy technologies and energy carriers”.
Publisher Copyright:
© 2016 Elsevier B.V. All rights reserved.
PY - 2016/6/30
Y1 - 2016/6/30
N2 - In this work, the relationship between photosensitivity and chemical sensitivity of zinc oxide (ZnO) nanorods coated with pyrene based tetratopic ligands (PTL) is investigated under visible light. The electrical resistance of ZnO-PTL is affected by adsorption of different volatile organic compounds (VOCs) such as ethanol, n-hexane, trimethylamine, and triethylamine. The illumination strongly affects the response to the VOCs. To elucidate the interaction mechanism between PTL and VOCs, the experimental studies have been complemented by first principles calculations. Both experimental and computational results have shown that the amines are bound to PTL with higher affinity followed by ethanol (alcohol) and n-hexane (alkane). Our results have proved that the COOH functional group at the peripheral site of PTL is not only used for anchoring the molecule onto the ZnO, but it is also the main adsorption site for the VOCs, in particular for amines. In practice, the photo-optical properties of pyrene molecules are complemented by the high affinity of COOH group for amines in order to achieve a photo-activated sensor. The complementary use of optical dyes and chemical ligands can provide an innovative methodology for chemical sensors design.
AB - In this work, the relationship between photosensitivity and chemical sensitivity of zinc oxide (ZnO) nanorods coated with pyrene based tetratopic ligands (PTL) is investigated under visible light. The electrical resistance of ZnO-PTL is affected by adsorption of different volatile organic compounds (VOCs) such as ethanol, n-hexane, trimethylamine, and triethylamine. The illumination strongly affects the response to the VOCs. To elucidate the interaction mechanism between PTL and VOCs, the experimental studies have been complemented by first principles calculations. Both experimental and computational results have shown that the amines are bound to PTL with higher affinity followed by ethanol (alcohol) and n-hexane (alkane). Our results have proved that the COOH functional group at the peripheral site of PTL is not only used for anchoring the molecule onto the ZnO, but it is also the main adsorption site for the VOCs, in particular for amines. In practice, the photo-optical properties of pyrene molecules are complemented by the high affinity of COOH group for amines in order to achieve a photo-activated sensor. The complementary use of optical dyes and chemical ligands can provide an innovative methodology for chemical sensors design.
KW - Carboxyl group
KW - DFT calculations
KW - Photoconductivity
KW - Pyrene based ligands
KW - Volatile organic compounds detection
KW - ZnO nanorods
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U2 - 10.1016/j.jphotochem.2016.02.023
DO - 10.1016/j.jphotochem.2016.02.023
M3 - Article
AN - SCOPUS:84961960767
SN - 1010-6030
VL - 324
SP - 62
EP - 69
JO - Journal of Photochemistry and Photobiology A: Chemistry
JF - Journal of Photochemistry and Photobiology A: Chemistry
ER -