Selective adsorption of metal-phthalocyanine on Au(111) surface with hydrogen atoms

Liu, Liwei; Yang, Kai; Xiao, Wende; Jiang, Yuhang; Song, Boqun; Du, Shixuan; Gao, HJ

doi:10.1063/1.4813545

Cited by 28 publications

(30 citation statements)

References 29 publications

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“…The vibrational magnitude of organic molecule plays an important role in the overall barrier. Indirect experimental evidence is consistent with predictions [20,21].…”

Section: Introductionsupporting

confidence: 85%

“…The orbital overlap between the s orbital of the H atoms and the Mn dxz orbital shows that H-H bond breaking happens via the interaction of the hydrogen antibonding state with the transition metal ion. Single atoms and small molecules, such as H resulting from the H 2 splitting process or contaminants such as CO or NO, may adsorb on top of TMPc molecules [21,28,29]. Indeed, the ligand attached to the transition metal would also influence the interaction between the organic molecule and the surface [20,30,31].…”

Section: Results and Disscusionsmentioning

confidence: 99%

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Tuning the Catalytic Activity of a Quantum Nutcracker for Hydrogen Dissociation

et al. 2020

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A quantum nutcracker, a recently proposed catalytic system for hydrogen dissociation, consists of two inert components: an organic molecule such as a transition metal phthalocyanine and an inert surface such as Cu or Au. The reaction takes place at the interface between the two components, which are weakly bonded by Van der Waals (VdW) forces. Here, we explore a method used to tune the reaction barrier in a quantum nutcracker system for hydrogen dissociation. By employing density-functional-theory calculations, we find that the H2 entry barrier, which is the rate-limiting barrier, is reduced by replacing the phthalocyanine by porphyrin derivatives such as octaethylporphyrin (OEP) and tetraphenylporphyrin (TPP). The system remains active if a dissociated H atom is adsorbed on the transition metal ion. Metallic two-dimensional materials such as NbS2 and CoS2 are good candidates for the quantum nutcracker. The present design of a quantum nutcracker for hydrogen dissociation provides new opportunities with which to induce catalytic activity in VdW-bonded systems.

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“…The vibrational magnitude of organic molecule plays an important role in the overall barrier. Indirect experimental evidence is consistent with predictions [20,21].…”

Section: Introductionsupporting

confidence: 85%

Section: Results and Disscusionsmentioning

confidence: 99%

Tuning the Catalytic Activity of a Quantum Nutcracker for Hydrogen Dissociation

et al. 2020

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“…Initial adsorption of both complexes occurred at the pointed elbow sites of the herringbonereconstructed surface. Once these sites were saturated, additionally deposited MnPc and (H)MnPc molecules preferentially adsorbed on fcc and hcp sites, respectively [782]. The axial ligation was achieved on-surface with atomic H produced on a hot W filament.…”

Section: Coordination Of Hydrogen and Oxygenmentioning

confidence: 99%

Surface chemistry of porphyrins and phthalocyanines

Gottfried

2015

Surface Science Reports

571

586

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“…33 In this case, the strength of gas-adsorbate binding is not only dependent on the type of atoms to be deposited 55 but also influenced by the stoichiometry of the adsorbates. 56 The variations in the stoichiometry of adsorbate may also alter its atomic structure and bonding characteristics, and consequently the strength of surface binding. From the observed trend in Fig.…”

Section: Stoichiometry-dependent Desorptionmentioning

confidence: 99%

Temperature triggered stoichiometry-dependent desorption from the growth interface of nanofilm

Liu

Wang

Zheng

et al. 2018

Journal of Applied Physics

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In this study, the desorption behaviors of codeposited atoms from the growth interface of multicomponent-nanofilms have been explored through the experiments of vapor codeposition and molecular dynamics simulations. Experimentally, the stoichiometry-dependent desorption has been observed for atoms with weak surface binding, and it appears to be triggered by higher growth temperature, as inferred from the dependence of the amount of deposition on the stoichiometry of precursor films under different conditions. Numerically, we demonstrate that the sticking coefficient of weakly binding atoms depends strongly on the stoichiometry under high growth temperature. However, as the temperature decreases, the sticking coefficient becomes less sensitive to stoichiometry. The mechanisms associated with all the above phenomena have also been discussed. Published by AIP Publishing. https://doi.

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Selective adsorption of metal-phthalocyanine on Au(111) surface with hydrogen atoms

Cited by 28 publications

References 29 publications

Tuning the Catalytic Activity of a Quantum Nutcracker for Hydrogen Dissociation

Tuning the Catalytic Activity of a Quantum Nutcracker for Hydrogen Dissociation

Surface chemistry of porphyrins and phthalocyanines

Temperature triggered stoichiometry-dependent desorption from the growth interface of nanofilm

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