TY - JOUR

T1 - Fluorinated metal phthalocyanines

T2 - Interplay between fluorination degree, films orientation, and ammonia sensing properties

AU - Klyamer, Darya

AU - Sukhikh, Aleksandr

AU - Gromilov, Sergey

AU - Krasnov, Pavel

AU - Basova, Tamara

N1 - Publisher Copyright: © 2018 by the authors.

PY - 2018/7/3

Y1 - 2018/7/3

N2 - In this work, the sensor response of MPcFx (M = Cu, Co, Zn; x = 0, 4, 16) films toward gaseous NH3 (10-50 ppm) was studied by a chemiresistive method and compared to that of unsubstituted MPc films to reveal the effects of central metals and F-substituents on the sensing properties. A combination of atomic force microscopy and X-ray diffraction techniques have been used to elucidate the structural features of thin MPcFx films deposited by organic molecular beam deposition. It has been shown that the sensor response of MPcF4 films to ammonia is noticeably higher than that of MPc films, which is in good correlation with the values of binding energy between the metal phthalocyanine and NH3 molecules, as calculated by the density functional theory (DFT) method. At the same time, in contrast to the DFT calculations, MPcF16 demonstrated the lesser sensor response compared with MPcF4, which appeared to be connected with the different structure and morphology of their films. The ZnPcF4 films were shown to exhibit a sensitivity to ammonia up to concentrations as low as 0.1 ppm, and can be used for the selective detection of ammonia in the presence of some reducing gases and volatile organic compounds. Moreover, the ZnPcF4 films can be used for the detection of NH3 in the gas mixture simulating exhaled air (N2 76%, O2 16%, H2O 5%, and CO2 3%).

AB - In this work, the sensor response of MPcFx (M = Cu, Co, Zn; x = 0, 4, 16) films toward gaseous NH3 (10-50 ppm) was studied by a chemiresistive method and compared to that of unsubstituted MPc films to reveal the effects of central metals and F-substituents on the sensing properties. A combination of atomic force microscopy and X-ray diffraction techniques have been used to elucidate the structural features of thin MPcFx films deposited by organic molecular beam deposition. It has been shown that the sensor response of MPcF4 films to ammonia is noticeably higher than that of MPc films, which is in good correlation with the values of binding energy between the metal phthalocyanine and NH3 molecules, as calculated by the density functional theory (DFT) method. At the same time, in contrast to the DFT calculations, MPcF16 demonstrated the lesser sensor response compared with MPcF4, which appeared to be connected with the different structure and morphology of their films. The ZnPcF4 films were shown to exhibit a sensitivity to ammonia up to concentrations as low as 0.1 ppm, and can be used for the selective detection of ammonia in the presence of some reducing gases and volatile organic compounds. Moreover, the ZnPcF4 films can be used for the detection of NH3 in the gas mixture simulating exhaled air (N2 76%, O2 16%, H2O 5%, and CO2 3%).

KW - Ammonia

KW - Chemiresistive sensors

KW - DFT calculations

KW - Metal phthalocyanines

KW - Thin films

KW - THIN-FILMS

KW - BOND ORDERS

KW - ENERGY

KW - HETEROJUNCTIONS

KW - ELECTRONIC POPULATION ANALYSIS

KW - ammonia

KW - COBALT PHTHALOCYANINE

KW - chemiresistive sensors

KW - SENSORS

KW - metal phthalocyanines

KW - ZINC PHTHALOCYANINE

KW - thin films

KW - ATOMS LI

KW - GAUSSIAN-BASIS SETS

UR - http://www.scopus.com/inward/record.url?scp=85049565107&partnerID=8YFLogxK

U2 - 10.3390/s18072141

DO - 10.3390/s18072141

M3 - Article

C2 - 29970853

AN - SCOPUS:85049565107

VL - 18

JO - Sensors

JF - Sensors

SN - 1424-3210

IS - 7

M1 - 2141

ER -