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Yang HH, Tsai HH, Ying CF, et al. Tuning molecule-substrate coupling via deposition of metal adatoms. J Chem Phys. 2015;143(18):184704doi: 10.1063/1.4935714.
Yang, H. H., Tsai, H. H., Ying, C. F., Yang, T. H., Kaun, C. C., Chen, C. H., & Lin, M. T. (2015). Tuning molecule-substrate coupling via deposition of metal adatoms. The Journal of chemical physics, 143(18), 184704. https://doi.org/10.1063/1.4935714
Yang, Hung-Hsiang, et al. "Tuning molecule-substrate coupling via deposition of metal adatoms." The Journal of chemical physics vol. 143,18 (2015): 184704. doi: https://doi.org/10.1063/1.4935714
Yang HH, Tsai HH, Ying CF, Yang TH, Kaun CC, Chen CH, Lin MT. Tuning molecule-substrate coupling via deposition of metal adatoms. J Chem Phys. 2015 Nov 14;143(18):184704. doi: 10.1063/1.4935714. PMID: 26567677.
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J Chem Phys. 2015 Nov 14;143(18):184704. doi: 10.1063/1.4935714.

Tuning molecule-substrate coupling via deposition of metal adatoms.

The Journal of chemical physics

Hung-Hsiang Yang, Hsu-Han Tsai, Chi-Feng Ying, Tsung-Han Yang, Chao-Cheng Kaun, Chun-Hsien Chen, Minn-Tsong Lin

Affiliations

  1. Department of Physics, National Taiwan University, Taipei 10617, Taiwan.
  2. Department of Chemistry, National Taiwan University, Taipei 10617, Taiwan.
  3. Research Center for Applied Sciences, Academia Sinica, Taipei 11529, Taiwan.

PMID: 26567677 DOI: 10.1063/1.4935714

Abstract

Organic-inorganic hybrids constitute an important class of functional materials. The fundamentals at the molecular levels are, however, relatively unexplored. PTCDA (perylene-3,4,9,10-tetracarboxylic dianhydride) is a colorant and extensively applied in organic-based optoelectronic devices. PTCDA/Cu(111) and Fe-PTCDA/Cu(111) metal-organic hybrid monolayers are studied by low temperature scanning tunneling microscopy and spectroscopy (STS) and density functional theory (DFT). The former exhibits Moiré pattern-modulated molecular density of states while the latter adapts a commensurate adlattice. Both imaging and spectroscopic results suggest a strong hybridization between PTCDA molecules and Cu(111) substrate. Weak PTCDA-Cu(111) coupling can be obtained by the introduction of Fe adatoms. Compared to PTCDA/Cu(111), STS spectra of Fe-PTCDA/Cu(111) exhibit a higher energy and sharper features of the frontier orbitals. Together with the DFT results, we found that the PTCDA-Cu(111) coupling is attenuated by the presence of Fe adatoms and Fe-PTCDA coordination.

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