Orientation Switching of Single Molecules on Surface Excited by Tunneling Electrons and Ultrafast Laser Pulses

Hao, Dong; Tang, Xiangqian; An, Yang; Sun, Luyi; Li, Jianmei; Dong, Anning; Shan, Xinyan; Lu, Xinghua

doi:10.1021/acs.jpclett.0c03838

Cited by 6 publications

(10 citation statements)

References 40 publications

(47 reference statements)

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“…The computed adsorption energy is thus about 1.76 eV, and the rotational energy barrier is about 50 meV. The results are on the right order of magnitude with the experimental data (24 meV) [25] and those of azobenzene derivatives (33 ± 3.8 meV). [40] We also tried single-point calculations using the vdW-DF method, the known nonlocal vdW density functional, and acquired similar results.…”

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confidence: 72%

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Adsorption and rotational barrier for a single azobenzene molecule on Au(111) surface*

Hao¹,

Tang²,

Wang³

et al. 2021

Chinese Phys. B

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The orientation switching of a single azobenzene molecule on Au(111) surface excited by tunneling electrons and/or photons has been demonstrated in recent experiments. Here we investigate the rotation behavior of this molecular rotor by first-principles density functional theory (DFT) calculation. The anchor phenyl ring prefers adsorption on top of the fcc hollow site, simulated by a benzene molecule on close packed atomic surface. The adsorption energy for an azobenzene molecule on Au(111) surface is calculated to be about 1.76 eV. The rotational energy profile has been mapped with one of the phenyl rings pivots around the fcc hollow site, illustrating a potential barrier about 50 meV. The results are consistent with experimental observations and valuable for exploring a broad spectrum of molecules on this noble metal surface.

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confidence: 72%

“…Our recent experiment on dynamic behavior of individual azobenzene molecules on Au(111) surface revealed distinct roles in rotation excitation by tunneling electrons and ultrafast laser pulses. [25] As shown in Fig. 1, the azobenzene molecules adsorbed on to the kink sites present two equivalent ground states separated by 60 • .…”

mentioning

confidence: 92%

Adsorption and rotational barrier for a single azobenzene molecule on Au(111) surface*

Hao¹,

Tang²,

Wang³

et al. 2021

Chinese Phys. B

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“…STM is much-privileged apparatus as a broad range of nanoscience phenomena can be studied using it. Apart from surface topography, various other elemental properties like excitations, [16][17][18] magnetic, [19][20][21] and optical [22] can be appraised very proficiently. Subsequently, it allows the chemical identification of atoms; hence, today, the analysis of magnetic anisotropy energy is also an engrossing topic that is being studied with this ubiquitous machine.…”

Section: Introductionmentioning

confidence: 99%

Envision and Appraisal of Biomolecules and Their Interactions through Scanning Probe Microscopy

et al. 2023

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Scanning probe microscopy (SPM) has gifted a novel eye to envision nanotechnology and nanoscience. The SPM technique involves a sharp probe that moves over the sample surface and leads to produce signals, which facilitates a deep understanding of the structural, electronic, vibrational, optical, magnetic, (bio) chemical, and mechanical properties of the material. Scanning tunneling microscopy (STM) and atomic force microscopy (AFM) measure various kinds of physical properties such as electric current, force, and capacitance. Moreover, AFM shows a prominent feature over STM that it accepts insulating surfaces and can work under physiological conditions, making it feasible to study biological molecules. Herein, the SPM approach toward biomolecule imaging and appraising different physiological processes with molecular resolution is highlighted. The review raises awareness regarding current obstacles in biological sample preparation and possible ways to conquer these difficulties. Subsequently, the recent applications of STM and AFM on various biomolecules with representative examples like DNA, protein, and carbohydrates are discussed. The conductance measurement studies of the biological samples emphasize applications like drug delivery, biosensors, molecular electronics, and spintronics fields. This is followed by an outlook of future perspectives making a pavement toward the basic science and applied field of biomolecules using SPM technology.

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“…For instance, previous manipulations of molecules induced by electrons from STM pulses showed tautomerization and proton transfer of a free base tetraphenyl-porphyrin (TPP) on Ag(111) between two states for 2H-TPP or among four states after removing one internal hydrogen atom of the TPP molecular core . Molecular orientation induced by tunneling electrons has been shown to switch azobenzene molecules adsorbed on the Au(111) surface at the threshold voltage applied to the molecules . Then, a similar question arises for the indigo molecule about the possible reaction induced by the excitation of the molecule adsorbed on the metal surface by the tunneling electrons of the STM tip.…”

Section: Introductionmentioning

confidence: 99%

“…41 Molecular orientation induced by tunneling electrons has been shown to switch azobenzene molecules adsorbed on the Au (111) surface at the threshold voltage applied to the molecules. 78 Then, a similar question arises for the indigo molecule about the possible reaction induced by the excitation of the molecule adsorbed on the metal surface by the tunneling electrons of the STM tip. In this way, it is improbable that indigo adsorbed on the surface carries out isomerization by the central C�C bond, but uncertainty exists as to whether the pulses can induce a permanent isomeric tautomerization of the molecule.…”

Section: ■ Introductionmentioning

confidence: 99%

Surface Vacancy Generation by STM Tunneling Electrons in the Presence of Indigo Molecules on Cu(111)

et al. 2022

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Herein, we invesOgate the consequence of local voltage pulses on the adsorpOon state of single indigo molecules on the Cu(111) surface as well as on the atomic structure underneath the molecule. With a scanning tunneling microscope, at 5 K, intact molecules are imaged as two lobes corresponding to the electron density of each indoxyl moiety of the molecule which are connected by a carbon double bond. Then, two short successive voltage pulses with the Op placed above the molecule generate irreversible modificaOons, as revealed by consecuOve scanning tunneling microscopy (STM) imaging. Density-funcOonal theory calculaOons coupled to STM image calculaOons indicate the creaOon of a double surface vacancy of copper surface atoms below the oxygen atom of the indigo molecule as the most plausible scenario. These extracted copper atoms are stabilized as adatoms by the indigo oxygens, oxidizing each copper adatom to 0.32 electron. Introduc0onThe indigo molecule is an ancient organic dye molecule that has been used for centuries to dye colorful blue color texOles, and they even appear in recipes of Babylonian transcripts. 1 Nowadays, it is widely used as a pigment to dye billions of blue jeans per year. 2 On the other hand, due to the electronic, opOcal, and chemical properOes of the indigo molecule and its derivaOves, several applicaOons are explored such as field-effect transistors, 3,4 solar cells, 5,6 diodes, 7-9 memory storage devices, 10 diesel markers, 11 DNA biosensors, 12 or chemical detectors of NO 2 . 13 Also, the chemical structure of indigo moOvates exploring new chromophores with greater optoelectronic features. 14,15 There exist wide literature reports on indigo and its derivaOves with regard to the high photostability of the compounds. Three phenomena are invoked to account for an intramolecular change causing photostability: (1) photoexcitaOon of an excited state of the molecule for trans-cis isomerizaOon through the C═C bond; (2) isomeric change from the keto to monoenol configuraOon (Figure 1) by excited-state intramolecular proton (ESIP) transfer, where the hydrogen atom of the nitrogen atom is transferred to the oxygen; finally, (3) the isomeric dienol configuraOon resulOng from excited-state dual proton (ESDP) transfer, where both hydrogen atoms of the amine central groups are transferred to both oxygen atoms of the carbonyl groups. The first mechanism appears less favorable due to steric crowding between hydrogen atoms in the final form and the important interacOon of the hydrogen bonding between the carbonyl and N-H groups. [16][17][18][19][20] However, some thioindigo derivaOves show trans-cis isomerizaOon and the involvement of a triple state in the photoisomerizaOon 21,22 and parOcularly N,N′-di(tbutoxycarbonyl)indigo 23 shows the absence of intramolecular N-H•••O bonding. The photostability of indigo is thus been aiributed to the ESIP transfer from the keto to enol intramolecular isomerizaOon ajer irradiaOon (Figure 1), where the proton transfer occurs from the nitrogen to the oxygen atoms at th...

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Orientation Switching of Single Molecules on Surface Excited by Tunneling Electrons and Ultrafast Laser Pulses

Cited by 6 publications

References 40 publications

Adsorption and rotational barrier for a single azobenzene molecule on Au(111) surface*

Adsorption and rotational barrier for a single azobenzene molecule on Au(111) surface*

Envision and Appraisal of Biomolecules and Their Interactions through Scanning Probe Microscopy

Surface Vacancy Generation by STM Tunneling Electrons in the Presence of Indigo Molecules on Cu(111)

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