Stability of boron-doped graphene/copper interface: DFT, XPS and OSEE studies

Boukhvalov, Danil W.; Kukharenko, Andrey I.; Слесарев, А. И.; Zatsepin, A. F.; Cholakh, S. O.; Kurmaev, E.Z.

doi:10.1016/j.apsusc.2018.02.074

Cited by 26 publications

(14 citation statements)

References 51 publications

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“…In general, different parameters in CVD can be optimized for tunable growth. [123] Romani et al used a single liquid precursor (isopropyl borate) and cracked it to grow B-doped graphene by the CVD route. At the optimal growth temperature (1000 °C), pressure (75 mTorr), and growth duration (5 min), single layer B-doped graphene can be achieved, and the presence of doping was shown by XPS and Raman analyses.…”

Section: Boron-doped Graphenementioning

confidence: 99%

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Advances and Trends in Chemically Doped Graphene

Ullah

Shi

Zhou

et al. 2020

Adv Materials Inter

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Chemically doped graphene materials are fascinating because these have different desirable attributes with possible synergy. The inert and gapless nature of graphene can be changed by adding a small number of heteroatoms to substitute carbon in the lattice. The doped material may display superior catalytic activities; durable, fast, and selective sensing; improved magnetic moments; photoresponses; and activity in chemical reactions. In the current review, recent advances are covered in chemically doped graphene. First, the different types of heteroatoms, their bonding configurations, and briefly their properties are discussed. This is followed by the description of various synthesis and analytical methods essential for assessing the characteristics of heterographene with specific focus on the selected graphene materials of different dopants (particularly, single dopants, including N, B, S, P, first three halogens, Ge, and Ga, and codopants, such as N/O), and more importantly, up‐to‐date applications enabled by the intentional doping. Finally, outlook and perspectives section review the existing challenges, future opportunities, and possible ways to improve the graphitic materials. The goal is to update and inspire the readers to establish novel doped graphene with valuable properties and for current and futuristic applications.

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Section: Boron-doped Graphenementioning

confidence: 99%

“…In general, different parameters in CVD can be optimized for tunable growth. [ 123 ] Romani et al. used a single liquid precursor (isopropyl borate) and cracked it to grow B‐doped graphene by the CVD route.…”

Section: Synthesismentioning

confidence: 99%

Advances and Trends in Chemically Doped Graphene

Ullah

Shi

Zhou

et al. 2020

Adv Materials Inter

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“…It has been proven that friction performance and service time were improved significantly when graphene was tightly bonded to the substrate . A remarkable enhancement of binding strength on a metal surface from 35 to 121 eV/atom when graphene lattice was doped by boron atoms has been reported . These results demonstrated that adding suitable impurities into graphene structure is an effective way to improve graphene adhesion on metal/metal oxide surfaces.…”

Section: Results and Discussionmentioning

confidence: 92%

A First-Principles Study of Impurity-Enhanced Adhesion and Lubricity of Graphene on Iron Oxide Surface

Tieu

Zhu

et al. 2021

J. Phys. Chem. C

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Graphene is well-known as one of the best solid lubricants for its superlubricity and high mechanical strength. Weak adhesion leading to low interfacial compatibility is a significant challenge of the use of graphene in harsh conditions. In this work, guided by density functional theory (DFT) calculations, we propose a method to improve graphene compatibility on Fe2O3 by substituting B, P, S, and Si to some carbon sites. The results of binding energy and potential energy surface (PES) show that the selection of suitable elements with a reasonable concentration not only greatly improves graphene adhesion but also provides a better frictional property than that with pure graphene. The doped-graphene chemically binds on the surface through the formation of covalent bonds between the dopant atoms and iron of the surface. Bader charge analyses suggest that the doping of B and P causes a severe charge alteration at the nearest carbon C1, and a strong repulsion at the C1–C1 stacking sites at the sliding interface, leading to a reduction in corrugation energies and thus nanoscale friction. Furthermore, first-principles molecular dynamics (FPMD) simulations at high temperature reveal that thanks to well-adhered behavior, the doped-graphene shows a significant reduction in the structural deformation, especially the out-of-plane component, which is essential to maintain graphene’s ultralow friction regime under harsh conditions. The current results shed light on further improved graphene performance without affecting its superlubricity.

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“…were neither the characteristics of Cu(I) species, nor those of Cu(0), but only Cu(II) species, this implies that there was no Cu 2 O or Cu on the surface of the catalyst . Here only two peaks could be observed on samples, indicating that the oxidation state of catalysts were not pure CuO because there were no obvious shake‐up satellite peaks at about 942.8 or 962.5 eV . The peak position of XPS was affected by many factors.…”

Section: Resultsmentioning

confidence: 97%

“…[25][26][27] Here only two peaks could be observed on samples, indicating that the oxidation state of catalysts were not pure CuO because there were no obvious shake-up satellite peaks at about 942.8 or 962.5 eV. 5,28,29 The peak position of XPS was affected by many factors. After 550 ∘ C air calcination, there must be CuO species on catalysts, which were presented in the form of highly dispersed dark spots on TEM images (Fig.…”

Section: Characterization Of Cu/zsm-5 Catalystsmentioning

confidence: 99%

Influence mechanism of different precursors on the adsorption behavior of NOx over Cu²⁺ ion‐exchange ZSM‐5

Tang

Zhang

et al. 2019

J of Chemical Tech & Biotech

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BACKGROUND The combined Adsorption‐Nonthermal Plasma Catalytic process (A‐NTP‐C) which is used for decomposition of NOx has become a technical approach of high research value.Many studies have shown that the better the adsorption performance of the catalyst in the A‐NTP‐C process, the higher the conversion of NO. The type of Cu precursors will affect the chemical/physical properties of Cu‐based catalysts, thus influencing the adsorption performance of catalysts. In this study, an ion exchange process was used to prepare Cu/ZSM‐5 catalysts with three Cu precursors, namely copper acetate (AC‐Cu), copper nitrate (N‐Cu) and copper sulfate (S‐Cu). Results Different Cu precursors led to differences in Cu ion exchange capacity of Cu/ZSM‐5; the Cu content of AC‐Cu/ZSM‐5 was the highest. Furthermore, even with the same Cu content as N‐Cu/ZSM‐5 and S‐Cu/ZSM‐5, the AC‐Cu/ZSM‐5 catalyst showed the best adsorption performance. Conclusion X‐ray photoelectron spectroscopy results indicated that CuO and isolated tetrahedron‐coordinating Cu(II) were the main forms of Cu species on Cu/ZSM‐5. The results of in situ DRIFTs indicated that NO was oxidized by CuO and the generated NO2 was adsorbed by H+ and isolated Cu (II). The AC‐Cu/ZSM‐5 catalysts had the largest amount of tetrahedron‐coordinating isolated Cu (II) and the strongest H+ electrophilic ability, giving it the best NOx adsorption performance. The different precursors had little effect on the ZSM‐5 structure, but did cause differences in pore volume, which might influence the adsorption capacity of NOx to some extent. These conclusions provide new ideas and methods for optimizing the adsorption capacity of Cu/ZSM‐5. © 2019 Society of Chemical Industry © 2019 Society of Chemical Industry

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Stability of boron-doped graphene/copper interface: DFT, XPS and OSEE studies

Cited by 26 publications

References 51 publications

Advances and Trends in Chemically Doped Graphene

Advances and Trends in Chemically Doped Graphene

A First-Principles Study of Impurity-Enhanced Adhesion and Lubricity of Graphene on Iron Oxide Surface

Influence mechanism of different precursors on the adsorption behavior of NOx over Cu²⁺ ion‐exchange ZSM‐5

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Stability of boron-doped graphene/copper interface: DFT, XPS and OSEE studies

Cited by 26 publications

References 51 publications

Advances and Trends in Chemically Doped Graphene

Advances and Trends in Chemically Doped Graphene

A First-Principles Study of Impurity-Enhanced Adhesion and Lubricity of Graphene on Iron Oxide Surface

Influence mechanism of different precursors on the adsorption behavior of NOx over Cu2+ ion‐exchange ZSM‐5

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Influence mechanism of different precursors on the adsorption behavior of NOx over Cu²⁺ ion‐exchange ZSM‐5