Adsorption of metal-phthalocyanine molecule on aluminum (100) surface: The DFT study
© 2018 Thammasat University. All rights reserved. Adsorption of various metal-phthalocyanine (MPc) molecules on Al(100) substrate were investigated by using the Density functional Theory (DFT). There are six transition metal atoms substituted in phthalocyanine skeleton ranking from d 5 to d 10 of t...
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th-mahidol.448612019-08-28T14:14:16Z Adsorption of metal-phthalocyanine molecule on aluminum (100) surface: The DFT study Asanee Somdee Malliga Suewattana Withoon Chunwachirasiri Tanakorn Osotchan Asawin Sinsarp King Mongkut's University of Technology North Bangkok Mahidol University Agricultural and Biological Sciences Mathematics Multidisciplinary © 2018 Thammasat University. All rights reserved. Adsorption of various metal-phthalocyanine (MPc) molecules on Al(100) substrate were investigated by using the Density functional Theory (DFT). There are six transition metal atoms substituted in phthalocyanine skeleton ranking from d 5 to d 10 of the 1 st row of transition metal and metal free phthalocyanine (H 2 Pc) molecule were studied. After adsorption, we found that the interaction between MPc molecules and substrate depended on the central metal of MPc molecule. The interaction between the ZnPc, CuPc and NiPc molecules on Al substrate are relatively weak comparing to the adsorption of H 2 Pc molecule, while the CoPc, FePc, and MnPc adsorptions show stronger interaction. This work are further investigated the vacuum level shift by extracting the information from the density of state (DOS) calculation. The shift of DOS of MPc molecule effect to the charge barriers at the interface. 2019-08-23T10:20:54Z 2019-08-23T10:20:54Z 2018-01-01 Article Science and Technology Asia. Vol.23, No.1 (2018), 67-76 10.14456/scitechasia.2018.8 25869027 2-s2.0-85063594935 https://repository.li.mahidol.ac.th/handle/123456789/44861 Mahidol University SCOPUS https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=85063594935&origin=inward |
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Agricultural and Biological Sciences Mathematics Multidisciplinary Asanee Somdee Malliga Suewattana Withoon Chunwachirasiri Tanakorn Osotchan Asawin Sinsarp Adsorption of metal-phthalocyanine molecule on aluminum (100) surface: The DFT study |
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© 2018 Thammasat University. All rights reserved. Adsorption of various metal-phthalocyanine (MPc) molecules on Al(100) substrate were investigated by using the Density functional Theory (DFT). There are six transition metal atoms substituted in phthalocyanine skeleton ranking from d 5 to d 10 of the 1 st row of transition metal and metal free phthalocyanine (H 2 Pc) molecule were studied. After adsorption, we found that the interaction between MPc molecules and substrate depended on the central metal of MPc molecule. The interaction between the ZnPc, CuPc and NiPc molecules on Al substrate are relatively weak comparing to the adsorption of H 2 Pc molecule, while the CoPc, FePc, and MnPc adsorptions show stronger interaction. This work are further investigated the vacuum level shift by extracting the information from the density of state (DOS) calculation. The shift of DOS of MPc molecule effect to the charge barriers at the interface. |
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King Mongkut's University of Technology North Bangkok |
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King Mongkut's University of Technology North Bangkok Asanee Somdee Malliga Suewattana Withoon Chunwachirasiri Tanakorn Osotchan Asawin Sinsarp |
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Article |
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Asanee Somdee Malliga Suewattana Withoon Chunwachirasiri Tanakorn Osotchan Asawin Sinsarp |
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Asanee Somdee |
title |
Adsorption of metal-phthalocyanine molecule on aluminum (100) surface: The DFT study |
title_short |
Adsorption of metal-phthalocyanine molecule on aluminum (100) surface: The DFT study |
title_full |
Adsorption of metal-phthalocyanine molecule on aluminum (100) surface: The DFT study |
title_fullStr |
Adsorption of metal-phthalocyanine molecule on aluminum (100) surface: The DFT study |
title_full_unstemmed |
Adsorption of metal-phthalocyanine molecule on aluminum (100) surface: The DFT study |
title_sort |
adsorption of metal-phthalocyanine molecule on aluminum (100) surface: the dft study |
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2019 |
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https://repository.li.mahidol.ac.th/handle/123456789/44861 |
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1763488586226728960 |