Electronic properties and adsorption structures of tetracene on the Ag(110) surface

Tao, Yiwen; Mao, Hongying; Zhang, Hanjie; He, Pimo

doi:10.1016/j.susc.2015.06.001

Cited by 7 publications

(14 citation statements)

References 41 publications

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“…1). The same trends in adsorption geometry were revealed in the recent calculation of the Tc/Ag(110) interface 44 . Because of the obvious disadvantage of the Γ 1 geometry, it will excluded from our further analysis, but despite the unfavorable adsorption structure of Γ 0 , it will be considered as a reference structure proposed by experimentalists 24 .…”

Section: Resultssupporting

confidence: 80%

Adsorption geometry and electronic properties of flat-lying monolayers of tetracene on the Ag(111) surface

et al. 2016

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The geometrical and electronic properties of the monolayer (ML) of tetracene (Tc) molecules on Ag(111) are systematically investigated by means of DFT calculations with the use of localized basis set. The bridge and hollow adsorption positions of the molecule in the commensurate γ-Tc/Ag(111) are revealed to be the most stable and equally favorable irrespective to the approximation chosen for the exchange-correlation functional. The binding energy is entirely determined by the long-range dispersive interaction. The former lowest unoccupied orbital remains being unoccupied in the case of γ-Tc/Ag(111) as well as in the α-phase with increased coverage. The unit cell of the α-phase with point-on-line registry was adapted for calculations based on the available experimental data and the computed structures of the γ-phase. The calculated position of the Tc/Ag(111) interface state is found to be noticeably dependent on the lattice constant of the substrate, however its energy shift with respect to the Shockley surface state of the unperturbed clean side of the slab is sensitive only to the adsorption distance and in good agreement with the experimentally measured energy shift.

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Section: Resultssupporting

confidence: 80%

Adsorption geometry and electronic properties of flat-lying monolayers of tetracene on the Ag(111) surface

et al. 2016

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“…23,72,73 Thus, one might expect a higher desorption energy value, at least at monolayer coverage, as in the work of Tao et al for tetracene on Ag(110), in which they obtained a theoretical adsorption energy value of about 2.05 ± 0.25 eV. 74 Also, a recent work from Morbec and Kratzer, including van der Waals (vdW) interactions in their DFT calculations of pentacene on Ag(111), found, for flatlying molecules, an average value of the adsorption energy of about 2.2 eV, 24 a value much higher than the one obtained considering the pre-exponential factor in the 10 13 s −1 range. Interestingly, for the latter system, Kafer et al have experimentally determined an activation energy to desorption of 2.14 eV by thermal desorption spectroscopy but using a preexponential factor of 1.6 × 10 19 s −1 , a value quite close to the one obtained using the TST (∼ 2 × 10 19 s −1 ).…”

Section: ■ Results and Discussionmentioning

confidence: 82%

Pyrene Adsorption on a Ag(111) Surface

et al. 2021

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This work describes the adsorption of pyrene molecules on a Ag(111) surface. We first demonstrate that despite its high vapor pressure, pyrene molecules can form ordered films under ultrahigh vacuum conditions, presenting a well-contrasted diffraction pattern. Studies using high-resolution electron energy loss spectroscopy and ultraviolet photoelectron spectroscopy provide compelling evidence of a physisorbed system where the molecules only weakly interact with the substrate underneath. Comparisons with theoretical calculations, as well as with data obtained from optical spectroscopies, clearly demonstrate that the vibrational and electronic properties of the adsorbed molecules are similar to the expected ones for pristine pyrene. Finally, we used temperature-programmed X-rays photoelectron spectroscopy to study the desorption process of pyrene on the Ag(111) surface and estimate its activation energy to desorption.

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“…Therefore, considerable investigations have been paid to the preparation of tetracene film on solid substrates [11][12][13][14][15][16][17][18][19][20][21][22]. For example, the adsorption of tetracene molecules on the silver substrate has been exploited in literature via scanning tunneling microscopy (STM) [23,24], ultraviolet photoemission spectroscopy (UPS) [25] and so on. It has been discovered that tetracene is adsorbed with the molecular plane parallel to the silver substrate in most cases.…”

Section: Introductionmentioning

confidence: 99%

Exploring the Adsorption Mechanism of Tetracene on Ag(110) by STM and Dispersion-Corrected DFT

et al. 2019

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Self-assembled strategy has been proven to be a promising vista in constructing organized low-dimensional nanostructures with molecular precision and versatile functionalities on solid surfaces. Herein, we investigate by a combination of scanning tunneling microscopy (STM) and dispersion-corrected density functional theory (DFT), the adsorption of tetracene molecules on the silver substrate and the mechanism mediating the self-assembly on Ag(110). As expected, ordered domain is formed on Ag(110) after adsorption with adjacent molecules being imaged with alternating bright or dim pattern regularly. While such behavior has been assigned previously to the difference of molecular adsorption height, herein, it is possible to investigate essentially the mechanism leading to the periodic alternation of brightness and dimness for tetracene adsorbed on Ag(110) thanks to the consideration of Van der Waals (vdW) dispersion force. It is demonstrated that the adsorption height in fact is same for both bright and dim molecules, while the adsorption site and the corresponding interfacial charge transfer play an important role in the formation of such pattern. Our report reveals that vdW dispersion interaction is crucial to appropriately describe the adsorption of tetracene on the silver substrate, and the formation of delicate molecular architectures on metal surfaces might also offers a promising approach towards molecular electronics.

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Electronic properties and adsorption structures of tetracene on the Ag(110) surface

Cited by 7 publications

References 41 publications

Adsorption geometry and electronic properties of flat-lying monolayers of tetracene on the Ag(111) surface

Adsorption geometry and electronic properties of flat-lying monolayers of tetracene on the Ag(111) surface

Pyrene Adsorption on a Ag(111) Surface

Exploring the Adsorption Mechanism of Tetracene on Ag(110) by STM and Dispersion-Corrected DFT

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