A DFT study of dissolved gas (C2H2, H2, CH4) detection in oil on CuO-modified BNNT

He, Xin; Gui, Yingang; Liu, Xiong; Wang, Qian

doi:10.1016/j.apsusc.2019.144030

Cited by 152 publications

(48 citation statements)

References 42 publications

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“…When the insulation of a transformer fails due to overheating and partial discharge, a serious discharge accident will occur. Therefore, finding an effective method that accurately detects the concentration and types of dissolved gases or insulating gas decomposition components in a transformer is necessary to monitor the operating state of the transformer [8,[39][40][41]. The traditional approach is to look for materials with good gas adsorption in transition elements, which are rich in d electrons, such as Pd(1 1 1) [39].…”

Section: Discussionmentioning

confidence: 99%

“…Nowadays, nanotubes are widely studied for their good gas adsorption properties. He et al found that CuO-BNNT was suitable for the adsorption of C 2 H 2 , because of its stronger adsorption on C 2 H 2 [8]. Meanwhile, TiO 2 itself can be a gas-sensing material.…”

Section: Discussionmentioning

confidence: 99%

“…In particular, nanotube arrays have attracted extensive interest in many fields in recent years due to their unique surface characteristics, such as high surface-to-volume ratio, biological plasticity, and high adsorption capacity. For example, a new study shows that boron nitride nanotubes (BNNT) constitute a gas-sensitive material that can be used as a gas sensor to monitor the operation of transformers by detecting the composition and content of dissolved gases in oil [8]. In biomedicine, surface topography is also able to direct cellular behaviors, including cell migration, adhesion, proliferation, and differentiation.…”

Section: Introductionmentioning

confidence: 99%

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F-actin Regulates Osteoblastic Differentiation of Mesenchymal Stem Cells on TiO2 Nanotubes Through MKL1 and YAP/TAZ

et al. 2020

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Titanium and titanium alloys are widely used in orthopedic implants. Modifying the nanotopography provides a new strategy to improve osseointegration of titanium substrates. Filamentous actin (F-actin) polymerization, as a mechanical loading structure, is generally considered to be involved in cell migration, endocytosis, cell division, and cell shape maintenance. Whether F-actin is involved and how it functions in nanotube-induced osteogenic differentiation of mesenchymal stem cells (MSCs) remain to be elucidated. In this study, we fabricated TiO2 nanotubes on the surface of a titanium substrate by anodic oxidation and characterized their features by scanning electron microscopy (SEM), X-ray energy dispersive analysis (EDS), and atomic force microscopy (AFM). Alkaline phosphatase (ALP) staining, Western blotting, qRT-PCR, and immunofluorescence staining were performed to explore the osteogenic potential, the level of F-actin, and the expression of MKL1 and YAP/TAZ. Our results showed that the inner diameter and roughness of TiO2 nanotubes increased with the increase of the anodic oxidation voltage from 30 to 70 V, while their height was 2 μm consistently. Further, the larger the tube diameter, the stronger the ability of TiO2 nanotubes to promote osteogenic differentiation of MSCs. Inhibiting F-actin polymerization by Cyto D inhibited osteogenic differentiation of MSCs as well as the expression of proteins contained in focal adhesion complexes such as vinculin (VCL) and focal adhesion kinase (FAK). In contrast, after Jasp treatment, polymerization of F-actin enhanced the expression of RhoA and transcription factors YAP/TAZ. Based on these data, we concluded that TiO2 nanotubes facilitated the osteogenic differentiation of MSCs, and this ability was enhanced with the increasing diameter of the nanotubes within a certain range (30–70 V). F-actin mediated this process through MKL1 and YAP/TAZ.

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Section: Discussionmentioning

confidence: 99%

Section: Discussionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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F-actin Regulates Osteoblastic Differentiation of Mesenchymal Stem Cells on TiO2 Nanotubes Through MKL1 and YAP/TAZ

et al. 2020

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“…The ZnO particle bends closer to the surface and the angle formed by Zn-O-C is reduced from 129 to 118°due to the presence of SO 2 . At the same time, from the Hirshfeld analysis, we find that the S atom acts as an electron donator with a loss of 0.164 e and its adsorption effect to O atoms is weakened, resulting in the extension of S-O bonds from 1.481 to 1.619 Å [51]. Inversely, the strengthened interatomic force, because of the electron increase (0.292 e) in the O atom of ZnO, has shortened the Zn-O bond from 2.182 to 1.869 Å.…”

Section: Adsorption Behaviour Of Zno-c 3 N Monolayermentioning

confidence: 82%

Adsorption of SF6 Decomposed Products on ZnO-Modified C3N: A Theoretical Study

Zhang

Chen

et al. 2020

Nanoscale Res Lett

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SF6, as an outstanding insulation medium, is widely used in the high-voltage insulation devices, guaranteeing the safe operation of the power system. Nevertheless, the inevitable partial discharge in a long-running device causes the decomposition of SF6 and deteriorates its insulation performance. In this work, DFT calculations were performed to study the adsorbing and sensing properties of ZnO-modified C3N (ZnO-C3N) nanosheet towards SF6 decomposed products, in order to propose a novel nano-candidate for evaluating the operation status of SF6 insulation devises. We first investigated the structure of ZnO-C3N monolayer and then simulated its adsorption behaviour upon four typical SF6 decomposed species, namely H2S, SO2, SOF2, and SO2F2. It is found that the ZnO-C3N monolayer can exhibit desirable reactivity and sensitivity on SO2, SOF2, and SO2F2, leading to the intense deformation of gas molecules and large adsorption energies. These consequences allow the potential application of gas adsorbent based on ZnO-C3N monolayer for removing impurity gases from SF6 insulation equipment. According to the analysis, it is supposed that ZnO-C3N monolayer is qualified to be used in maintaining insulation strength and ensuring the safe operation of power system.

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“…The adsorption mechanism can greatly affect the conductivity and gas concentration of the entire system, which is beneficial to fabricate a gas sensor with selectivity and sensitivity. The electrical conductivity is related to energy gap and the change of energy gap will affect conductivity exponentially [28]. To further obtain the conductivity of the entire system, we determined the energy gap (E g ) of the molecular orbital between the highest occupied molecular orbital (HOMO) and the lowest occupied molecular orbital (LUMO), as defined in Equation (4) [29].…”

Section: Computational Detailsmentioning

confidence: 99%

Pt Cluster Modified h-BN for Gas Sensing and Adsorption of Dissolved Gases in Transformer Oil: A Density Functional Theory Study

Tao

et al. 2019

Nanomaterials

Self Cite

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Hexagonal-Boron nitride nanotubes (h-BN) decorated with transition metals have been widely studied due to their enhanced physicochemical properties. In this paper, Pt cluster-modified h-BN is proposed as a sensitive material for a novel gas sensor for the online malfunction monitoring of oil-immersed transformers. The inner oil is ultimately decomposed to various gases during the long-term use of oil-immersed transformers. Exposure to excessively high temperatures produces the alkanes CH4 and C2H6, whereas different degrees of discharge generate H2 and C2H2. Therefore, the identification of H2, CH4, and C2H2 gas efficiently measures the quality of transformers. Based on the density functional theory, the most stable h-BN doped with 1–4 Pt atoms is employed to simulate its adsorption performance and response behavior to these typical gases. The adsorption energy, charge transfer, total density of states, projected density of states, and orbital theory of these adsorption systems are analyzed and the results show high consistency. The adsorption ability for these decomposition components are ordered as follows: C2H2 > H2 > CH4. Pt cluster-modified h-BN shows good sensitivity to C2H2, H2, with decreasing conductivity in each system, but is insensitive to CH4 due to its weak physical sorption. The conductivity change of Ptn-h-BN is considerably larger upon H2 than that upon C2H2, but is negligible upon CH4. Our calculations suggest that Pt cluster modified h-BN can be employed in transformers to estimate their operation status.

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A DFT study of dissolved gas (C2H2, H2, CH4) detection in oil on CuO-modified BNNT

Cited by 152 publications

References 42 publications

F-actin Regulates Osteoblastic Differentiation of Mesenchymal Stem Cells on TiO2 Nanotubes Through MKL1 and YAP/TAZ

F-actin Regulates Osteoblastic Differentiation of Mesenchymal Stem Cells on TiO2 Nanotubes Through MKL1 and YAP/TAZ

Adsorption of SF6 Decomposed Products on ZnO-Modified C3N: A Theoretical Study

Pt Cluster Modified h-BN for Gas Sensing and Adsorption of Dissolved Gases in Transformer Oil: A Density Functional Theory Study

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