A first-principles study of nitrogen- and boron-assisted platinum adsorption on carbon nanotubes

Li, Yu-Hung; Hung, Ting-Hsiang; Chen, Chun-Wei

doi:10.1016/j.carbon.2008.11.048

Cited by 209 publications

(164 citation statements)

References 27 publications

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“…The results from theoretical modeling unanimously identify the following ascending order of the binding energies of noble metals: N(graphitic) > N(pyrrolic) > N(pyridinic) [60][61][62]. close proximity of nitrogen atoms with large electron affinity [58]. An analogous effect can be envisaged in defective carbon surfaces, where the presence of curvature, vacancies, or edges produces a disruption of the delocalized electronic structure of the graphene surface.…”

Section: Metal Single-atom Adsorption On Doped Carbon Surfacesmentioning

confidence: 92%

“…However, although the hybridization between the nitrogen p-orbital and platinum d-orbital is very weak, the presence of nitrogen atoms can result in an enhancement of the interaction with Pt compared to undoped surfaces. The promotion effect of nitrogen can be ascribed to the activation of the neighboring carbon atoms, whose reciprocal π-π interactions are weakened by the lower electron delocalization induced by the close proximity of nitrogen atoms with large electron affinity [58]. An analogous effect can be envisaged in defective carbon surfaces, where the presence of curvature, vacancies, or edges produces a disruption of the delocalized electronic structure of the graphene surface.…”

Section: Metal Single-atom Adsorption On Doped Carbon Surfacesmentioning

confidence: 99%

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Understanding Heteroatom-Mediated Metal–Support Interactions in Functionalized Carbons: A Perspective Review

2018

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Featured Application: Surface engineering for catalysis and energy.Abstract: Carbon-based materials show unique chemicophysical properties, and they have been successfully used in many catalytic processes, including the production of chemicals and energy. The introduction of heteroatoms (N, B, P, S) alters the electronic properties, often increasing the reactivity of the surface of nanocarbons. The functional groups on the carbons have been reported to be effective for anchoring metal nanoparticles. Although the interaction between functional groups and metal has been studied by various characterization techniques, theoretical models, and catalytic results, the role and nature of heteroatoms is still an object of discussion. The aim of this review is to elucidate the metal-heteroatoms interaction, providing an overview of the main experimental and theoretical outcomes about heteroatom-mediated metal-support interactions. Selected studies showing the effect of heteroatom-metal interaction in the liquid-phase alcohol oxidation will be also presented.

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Section: Metal Single-atom Adsorption On Doped Carbon Surfacesmentioning

confidence: 92%

Section: Metal Single-atom Adsorption On Doped Carbon Surfacesmentioning

confidence: 99%

Understanding Heteroatom-Mediated Metal–Support Interactions in Functionalized Carbons: A Perspective Review

2018

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“…3a). This might arise from the presence of a large number of nitrogen atoms surrounding activated carbon atoms in the 3GN architectures, which can substantially strengthen the interaction between the metal and the support [18,19].…”

Section: Resultsmentioning

confidence: 99%

“…4c) can be fitted to two main peaks located at binding energies of 398.5 and 399.9 eV, which correspond to sp 2 N atoms in triazine rings (N1) [24] and bridging N atoms in N-(C) 3 (N2), respectively [25]. N1 species can form strong interactions with platinum [26,27]. Owing to the large percentage of N1 species in gC 3 N 4 -Pt/3GN, it should be possible to enhance the adhesion between Pt and the 3D support, and effectively prevent agglomeration of Pt nanoparticles.…”

Section: Resultsmentioning

confidence: 99%

Graphitic C3N4-Pt nanohybrids supported on a graphene network for highly efficient methanol oxidation

Han

Zhao

et al. 2015

Sci. China Mater.

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Pt heterostructures can have distinctly different physical and chemical properties to their single-phase components. Herein, a smart approach was developed for the large-scale production of graphitic C3N4-Pt (gC3N4-Pt) heterostructures on three-dimensional (3D) graphene sheet networks for highly efficient methanol oxidation. Because the gC3N4-Pt heterostructures on the conductive 3D graphene network support provide the methanol molecules good accessibility to the active sites, the obtained catalyst exhibits excellent electrocatalytic performance, including high catalytic activity, unusual CO tolerance, and good stability, and is superior to commercial Pt/C and Pt/graphene catalysts for methanol oxidation.

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“…Therefore, the presence of both N and B substitutional dopants increases the strength of the interaction between Pt and the carbon substrate [41].…”

Section: Introductionmentioning

confidence: 99%

Molecular hydrogen storage in fullerenes – A dispersion-corrected density functional theory study

Durbin

Allan

Malardier-Jugroot

2016

International Journal of Hydrogen Energy

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General rightsThis document is made available in accordance with publisher policies. Please cite only the published version using the reference above. Full terms of use are available: http://www.bristol.ac.uk/pure/about/ebr-terms The study mainly focuses on H2 stored within the fullerene with some investigation into external H2. A significant attractive Cfullerene-H2 interaction energy of -28 kJ/mol is observed for H2 in curved carbon nanomaterials where H2 molecules are located ca. 2.9 Å from carbon atoms in a highly confined system. Dopants have the potential to increase the favourability of Cfullerene-H2interactions when multiple H2 molecules are present by affecting the orientation of H2 molecules within the carbon nanomaterial. This paper presents analysis of several carbon nanosystems and then proposes possible materials for H2 storage on board vehicles.2

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A first-principles study of nitrogen- and boron-assisted platinum adsorption on carbon nanotubes

Cited by 209 publications

References 27 publications

Understanding Heteroatom-Mediated Metal–Support Interactions in Functionalized Carbons: A Perspective Review

Understanding Heteroatom-Mediated Metal–Support Interactions in Functionalized Carbons: A Perspective Review

Graphitic C3N4-Pt nanohybrids supported on a graphene network for highly efficient methanol oxidation

Molecular hydrogen storage in fullerenes – A dispersion-corrected density functional theory study

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