Substrate effect on hydrogen adsorption on gold cluster

Dokhlikova, N. V.; Kolchenko, N. N.; Grishin, M. V.; Гатин, А. К.; Шуб, Б. Р.

doi:10.1134/s1995078016060070

Cited by 14 publications

(9 citation statements)

References 28 publications

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“…After all, the charging of a supported nanoparticle due to the difference in the electron work functions is too global a phenomenon. In our previous work, we noted that the result of quantum chemical modeling was paradoxical [22]. According to the calculation, a regular cluster of gold atoms with a fixed structure located over a single graphene layer is positively charged, although the opposite is experimentally observed.…”

Section: Goldmentioning

confidence: 96%

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Less and Less Noble: Local Adsorption Properties of Supported Au, Ni, and Pt Nanoparticles

et al. 2023

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In this work, we studied the local adsorption properties of gold, nickel, and platinum nanoparticles. A correlation was established between the chemical properties of massive and nanosized particles of these metals. The formation of a stable adsorption complex M-Aads on the nanoparticles’ surface was described. It was shown that the difference in local adsorption properties is caused by specific contributions of nanoparticle charging, the deformation of its atomic lattice near the M–C interface, and the hybridization of the surface s- and p-states. The contribution of each factor to the formation of the M-Aads chemical bond was described in terms of the Newns–Anderson chemisorption model.

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Section: Goldmentioning

confidence: 96%

“…However, in this case, the formation of the annular region posed a serious challenge to us. There is no doubt that nanoparticles' charges affect the dissociation of H 2 molecules on gold and the formation of stable Au-H [21,22]. But why is the surface distribution of Au-H so uneven?…”

Section: Goldmentioning

confidence: 99%

Less and Less Noble: Local Adsorption Properties of Supported Au, Ni, and Pt Nanoparticles

et al. 2023

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“…The quantum‐chemical calculations were carried out in Quantum Espresso [23] in generalized gradient approximation with the Perdew‐Burke‐Ernzerhof (PBE) functional [24] with parametrization for solids (PBEsol) [25] in ultra‐soft pseudopotentials constructed by Vanderbilt [26]. The selected PBEsol functional quite accurately reproduces a number of Au physical parameters [27], including the gold interaction with adsorbents [28]. The maximum energy limit was set as 500 eV.…”

Section: Calculation Detailsmentioning

confidence: 99%

“…The selected PBEsol functional quite accurately reproduces a number of Au physical parameters [27], including the gold interaction with adsorbents [28]. The maximum energy limit was set as 500 eV.…”

mentioning

confidence: 99%

Hydrogen diffusion on (100), (111), (110) and (211) gold faces

Dokhlikova,

Grishin,

Doronin

2023

Int J of Quantum Chemistry

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Calculations showed that hydrogen adsorption into subsurface sites is most likely to occur on Au (110) and (211) faces. The presence of low‐coordinated Au atoms on significantly reduces the barrier of subsurface adsorption of H. The barriers of H surface diffusion increase in the following Au series: (110) < (111) < (100) < (211). An analysis of the dependence of the surface diffusion barriers on the electronic structure of gold atoms on the respective faces revealed a U‐shaped dependence of the centers of the s‐ and d‐bands. This dependence is the result of the filling of the s‐ and d‐bands on different faces of the gold. The results obtained suggest that it is possible to use band centers to determine surface diffusion barriers.

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“…Moreover, the morphological and electronic properties of the supporting substrate on which plasmonic nanostructures are fabricated also affects the LSPR in nanostructures. However, how plasmonic nanostructures interact with their supporting substrates is not well established in literature [16,17,18]. Theoretically, the interaction between the supporting substrate and the metal nanostructures may cause a change in the refractive index environment of the nanostructure, thereby delocalizing the field into the substrate.…”

Section: Introductionmentioning

confidence: 99%

Dewetting Metal Nanofilms—Effect of Substrate on Refractive Index Sensitivity of Nanoplasmonic Gold

et al. 2019

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The localized surface plasmon resonance (LSPR) sensitivity of metal nanostructures is strongly dependent on the interaction between the supporting substrate and the metal nanostructure, which may cause a change in the local refractive index of the metal nanostructure. Among various techniques used for the development of LSPR chip preparation, solid-state dewetting of nanofilms offers fast and cost effective methods to fabricate large areas of nanostructures on a given substrate. Most of the previous studies have focused on the effect of the size, shape, and inter-particle distance of the metal nanostructures on the LSPR sensitivity. In this work, we reveal that the silicon-based supporting substrate influences the LSPR associated refractive index sensitivity of gold (Au) nanostructures designed for sensing applications. Specifically, we develop Au nanostructures on four different silicon-based ceramic substrates (Si, SiO2, Si3N4, SiC) by thermal dewetting process and demonstrate that the dielectric properties of these ceramic substrates play a key role in the LSPR-based refractive index (RI) sensitivity of the Au nanostructures. Among these Si-supported Au plasmonic refractive index (RI) sensors, the Au nanostructures on the SiC substrates display the highest average RI sensitivity of 247.80 nm/RIU, for hemispherical Au nanostructures of similar shapes and sizes. Apart from the significance of this work towards RI sensing applications, our results can be advantageous for a wide range of applications where sensitive plasmonic substrates need to be incorporated in silicon based optoelectronic devices.

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Substrate effect on hydrogen adsorption on gold cluster

Cited by 14 publications

References 28 publications

Less and Less Noble: Local Adsorption Properties of Supported Au, Ni, and Pt Nanoparticles

Less and Less Noble: Local Adsorption Properties of Supported Au, Ni, and Pt Nanoparticles

Hydrogen diffusion on (100), (111), (110) and (211) gold faces

Dewetting Metal Nanofilms—Effect of Substrate on Refractive Index Sensitivity of Nanoplasmonic Gold

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