A Comparative Study of the Semiconductor Behavior of Organic Thin Films: TCNQ-Doped Cobalt Phthalocyanine and Cobalt Octaethylporphyrin
The structure formed by cobalt phthalocyanine (CoPc) and cobalt octaethylporphyrin (CoOEP) with electron-acceptor tetracyano-π-quinodimethane (TCNQ), was studied by Density Functional Theory (DFT) methods. According to theoretical calculations, both cobalt systems can establish dispersion forces rel...
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MDPI AG
2020-12-01
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| Series: | Molecules |
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| author | María Elena Sánchez-Vergara Citlalli Rios Omar Jiménez-Sandoval Roberto Salcedo |
| author_facet | María Elena Sánchez-Vergara Citlalli Rios Omar Jiménez-Sandoval Roberto Salcedo |
| author_sort | María Elena Sánchez-Vergara |
| collection | DOAJ |
| description | The structure formed by cobalt phthalocyanine (CoPc) and cobalt octaethylporphyrin (CoOEP) with electron-acceptor tetracyano-π-quinodimethane (TCNQ), was studied by Density Functional Theory (DFT) methods. According to theoretical calculations, both cobalt systems can establish dispersion forces related to TCNQ and also in both cases the link between them is built by means of hydrogen bonds. Based on the results of these DFT calculations, we developed experimental work: the organic semiconductors were doped, and the thermal evaporation technique was used to prepare semiconductor thin films of such compounds. The structure of the films was studied by FTIR and Raman spectroscopy. The optical properties of the CoPc-TCNQ and CoOEP-TCNQ films were investigated by means of UV-Vis measurements. The results obtained were used to estimate the type of transitions and the optical bandgap. The results were compared to the previously calculated theoretical bandgap. The CoOEP-TCNQ film presented the smallest theoretical and experimental bandgap. Finally, the electrical properties of the organic semiconductors were evaluated from a PET (polyethylene terephthalate)/indium tin oxide (ITO)/cobalt macrocycle-TCNQ/silver (Ag) device we prepared. The CoOEP-TCNQ-based device showed an ohmic behavior. The device manufactured from CoPc-TCNQ also showed an ohmic behavior at low voltages, but significantly changed to SCLC (space-charge limited conductivity) at high voltage values. |
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| language | English |
| last_indexed | 2024-03-10T14:13:26Z |
| publishDate | 2020-12-01 |
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| series | Molecules |
| spelling | doaj.art-2a249690478e40c8b174d3b2caa1616e2023-11-20T23:58:23ZengMDPI AGMolecules1420-30492020-12-012524580010.3390/molecules25245800A Comparative Study of the Semiconductor Behavior of Organic Thin Films: TCNQ-Doped Cobalt Phthalocyanine and Cobalt OctaethylporphyrinMaría Elena Sánchez-Vergara0Citlalli Rios1Omar Jiménez-Sandoval2Roberto Salcedo3Engineering Department, Universidad Anáhuac México, Avenida Universidad Anáhuac 46, Col. Lomas Anáhuac, Huixquilucan, Estado de México 52786, MexicoInstituto de Investigaciones en Materiales, Universidad Nacional Autónoma de México, Circuito Exterior s/n, Ciudad Universitaria, Coyoacán, Ciudad de México 04510, MexicoCentro de Investigación y de Estudios Avanzados del Instituto Politécnico Nacional, Unidad Querétaro, Libramiento Norponiente 2000, Fracc. Real de Juriquilla, Querétaro 76230, MexicoInstituto de Investigaciones en Materiales, Universidad Nacional Autónoma de México, Circuito Exterior s/n, Ciudad Universitaria, Coyoacán, Ciudad de México 04510, MexicoThe structure formed by cobalt phthalocyanine (CoPc) and cobalt octaethylporphyrin (CoOEP) with electron-acceptor tetracyano-π-quinodimethane (TCNQ), was studied by Density Functional Theory (DFT) methods. According to theoretical calculations, both cobalt systems can establish dispersion forces related to TCNQ and also in both cases the link between them is built by means of hydrogen bonds. Based on the results of these DFT calculations, we developed experimental work: the organic semiconductors were doped, and the thermal evaporation technique was used to prepare semiconductor thin films of such compounds. The structure of the films was studied by FTIR and Raman spectroscopy. The optical properties of the CoPc-TCNQ and CoOEP-TCNQ films were investigated by means of UV-Vis measurements. The results obtained were used to estimate the type of transitions and the optical bandgap. The results were compared to the previously calculated theoretical bandgap. The CoOEP-TCNQ film presented the smallest theoretical and experimental bandgap. Finally, the electrical properties of the organic semiconductors were evaluated from a PET (polyethylene terephthalate)/indium tin oxide (ITO)/cobalt macrocycle-TCNQ/silver (Ag) device we prepared. The CoOEP-TCNQ-based device showed an ohmic behavior. The device manufactured from CoPc-TCNQ also showed an ohmic behavior at low voltages, but significantly changed to SCLC (space-charge limited conductivity) at high voltage values.https://www.mdpi.com/1420-3049/25/24/5800doped semiconductorDFT calculationsflexible filmoptical propertieselectrical properties |
| spellingShingle | María Elena Sánchez-Vergara Citlalli Rios Omar Jiménez-Sandoval Roberto Salcedo A Comparative Study of the Semiconductor Behavior of Organic Thin Films: TCNQ-Doped Cobalt Phthalocyanine and Cobalt Octaethylporphyrin Molecules doped semiconductor DFT calculations flexible film optical properties electrical properties |
| title | A Comparative Study of the Semiconductor Behavior of Organic Thin Films: TCNQ-Doped Cobalt Phthalocyanine and Cobalt Octaethylporphyrin |
| title_full | A Comparative Study of the Semiconductor Behavior of Organic Thin Films: TCNQ-Doped Cobalt Phthalocyanine and Cobalt Octaethylporphyrin |
| title_fullStr | A Comparative Study of the Semiconductor Behavior of Organic Thin Films: TCNQ-Doped Cobalt Phthalocyanine and Cobalt Octaethylporphyrin |
| title_full_unstemmed | A Comparative Study of the Semiconductor Behavior of Organic Thin Films: TCNQ-Doped Cobalt Phthalocyanine and Cobalt Octaethylporphyrin |
| title_short | A Comparative Study of the Semiconductor Behavior of Organic Thin Films: TCNQ-Doped Cobalt Phthalocyanine and Cobalt Octaethylporphyrin |
| title_sort | comparative study of the semiconductor behavior of organic thin films tcnq doped cobalt phthalocyanine and cobalt octaethylporphyrin |
| topic | doped semiconductor DFT calculations flexible film optical properties electrical properties |
| url | https://www.mdpi.com/1420-3049/25/24/5800 |
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