Adsorption of Metal-Phthalocyanine Molecule on Aluminum (100) Surface: The DFT Study

Authors

  • Asanee Somdee Faculty of Science, Energy and Environment, King Mongkut’s University of Technology North Bangkok, Rayong 10800, Thailand
  • Malliga Suewattana Department of Physics, Faculty of Science, Mahidol University, Bangkok 10400, Thailand
  • Withoon Chunwachirasiri Department of Physics, Faculty of Science, Mahidol University, Bangkok 10400, Thailand
  • Tanakorn Osotchan Department of Physics, Faculty of Science, Mahidol University, Bangkok 10400, Thailand
  • Asawin Sinsarp Department of Physics, Faculty of Science, Mahidol University, Bangkok 10400, Thailand

Keywords:

Discharge planning, School age children, D-M-E-T-H-O-D model

Abstract

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 d5 to d10 of the 1st row of transition metal and metal free phthalocyanine (H2Pc) 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 H2Pc 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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Published

2018-05-21

How to Cite

Somdee, A., Suewattana, M., Chunwachirasiri, W., Osotchan, T., & Sinsarp, A. (2018). Adsorption of Metal-Phthalocyanine Molecule on Aluminum (100) Surface: The DFT Study. Science & Technology Asia, 23(1), 67–76. Retrieved from https://ph02.tci-thaijo.org/index.php/SciTechAsia/article/view/124834

Issue

Section

Engineering