Quantum dynamics of laser- and field-induced desorption of molecules from metal surfaces

Saalfrank, Peter

doi:10.1002/1097-461x(2000)80:2<210::aid-qua15>3.0.co;2-2

Cited by 8 publications

(5 citation statements)

References 41 publications

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“…Finally, in order to investigate the role of the electric field in the vicinity of the STM tip for the switching process, a simple model following refs and was set up by introducing a shift, V = V 0 + V el of the ground state potential energy surface V 0 due to the electrostatic interaction of the electric field E z (approximated as being homogeneous) between STM tip and sample with a vertical dipole μ z between the charged adsorbate molecule and its image charge in the metallic substrate. Neglecting higher electric moments, this interaction energy is given by V el = prefix− μ z E z = prefix− 2 d z Q E z with total charge Q of the adsorbate molecule, evaluated by summation over atomic charges q i at positions z i obtained from Bader analysis; − d z denotes the vertical distance of the center of charge modulus z coc = 1/(| Q |)∑ i | q i | z i from the surface mirror plane, the latter being defined as the average z-coordinate of Ag atoms in the uppermost substrate layer.…”

Section: Methodsmentioning

confidence: 99%

Diarylethene Molecules on a Ag(111) Surface: Stability and Electron-Induced Switching

et al. 2015

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Diarylethene derivatives are photochromic molecular switches, undergoing a ring-opening/-closing reaction by illumination with light. The symmetry of the closed form is determined by the Woodward-Hoffmann rules according to which the reaction proceeds by conrotatory rotation in that case. Here, we show by a combined approach of scanning tunneling microscopy (STM) and density functional theory (DFT) calculations that the open isomer of 4,4'-(4,4'-(Perfluorocyclopent-1-ene-1,2-diyl)bis(5-methylthiophene-4,2-diyl)dipyridine) (PDTE) retains its open form upon adsorption on a Ag(111) surface. It can be switched into a closed form, which we identify as the disrotatory cyclization product, by controlled manipulation with the STM tip. electric-field dependent switching process is interpreted on the basis of a simple electrostatic model, which suggests that the reaction proceeds via an "upright" intermediate state. This pathway thus strongly differs from the switching reaction in solution.

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Section: Methodsmentioning

confidence: 99%

Diarylethene Molecules on a Ag(111) Surface: Stability and Electron-Induced Switching

et al. 2015

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“…In principle, the desorption by a static electric field, under an STM tip for example, should also be possible. In refs and , it was found that for an ammonia molecule, bound by 0.7 eV, a critical field strength of about 1 V/Å would be needed. This is unfeasable for an STM experiment on a metal surface, but in the case of semiconductors and/or for less strongly bound adsorbates, static field desorption may be possible.…”

Section: 1 Direct Resonant Excitation Of the Adsorbate−surface Bondmentioning

confidence: 99%

Quantum Dynamical Approach to Ultrafast Molecular Desorption from Surfaces

2006

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“…Also for this system representative, dissipative two-state models of the type used in equation ( 17) have been devised. These models are either one dimensional, with the desorption coordinate, Z , being the one mode considered [67,68,146,147,87,88,[148][149][150][151][152], or two dimensional, either with Z and the NO distance r [90,91,[153][154][155][156], or Z and polar angle θ [157,158] included. The 2D (r , Z ) model has also been used for nonadiabatic scattering of NO from Pt (111) [159].…”

Section: Hydrogen Desorption From Si (100)2 ×mentioning

confidence: 99%

Quantum dynamics of laser-induced desorption from metal and semiconductor surfaces, and related phenomena

Saalfrank

Nest

Andrianov

et al. 2006

J. Phys.: Condens. Matter

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Recent progress towards a quantum theory of laser-induced desorption and related phenomena is reviewed, for specific examples. These comprise the photodesorption of NO from Pt(111), the scanning tunnelling microscope and laser-induced desorption and switching of H at Si(100), and the electron stimulated desorption and dissociation of CO at Ru(0001). The theoretical methods used for nuclear dynamics range from open-system density matrix theory over nonadiabatically coupled multi-state models to electron–nuclear wavepackets. Also, aspects of time-dependent spectroscopy to probe ultrafast nonadiabatic processes at surfaces will be considered for the example of two-photon photoemission of solvated electrons in ice layers on Cu(111).

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Quantum dynamics of laser- and field-induced desorption of molecules from metal surfaces

Cited by 8 publications

References 41 publications

Diarylethene Molecules on a Ag(111) Surface: Stability and Electron-Induced Switching

Diarylethene Molecules on a Ag(111) Surface: Stability and Electron-Induced Switching

Quantum Dynamical Approach to Ultrafast Molecular Desorption from Surfaces

Quantum dynamics of laser-induced desorption from metal and semiconductor surfaces, and related phenomena

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