Perforation routes towards practical nano-porous graphene and analogous materials engineering

Guirguis, Albert; Maina, James W.; Kong, Lingxue; Henderson, Luke C.; Rana, Akshita; Li, Lu Hua; Majumder, Mainak; Dumée, Ludovic F.

doi:10.1016/j.carbon.2019.09.028

Cited by 53 publications

(51 citation statements)

References 79 publications

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“…5 d. The GO nano powder showed a number of the graphene layer, nearly 1.1 (a.u. ), which indicated that the graphitic powder was successfully exfoliated into a crystalline structure, consisting of few-layer GO sheets 50 . Besides, apart from the primary and secondary 2θ peaks at 17.5 and 30.5, the WPGO hybrid fibre showed an additional 2θ peak at 10, which is the typical XRD peak of the GO (the typical 2θ peak of pure GO ranges between 9.7 and 10.6) 45 .…”

Section: Characterization Of the Wool/pan/go And Wool/pan/reduced Go Hybrid Fibresmentioning

confidence: 99%

Graphene oxide incorporated waste wool/PAN hybrid fibres

Faruque

Remadevi

Guirguis

et al. 2021

Sci Rep

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This work aims to evaluate the potential of using textile waste in smart textile applications in the form of a hybrid fibre with electrical properties. The bio-based electrically conductive fibres were fabricated from waste wool and polyacrylonitrile (PAN) via wet spinning with different wool content. The control PAN and hybrid fibre produced with the highest amount of wool content (25% w/v) were coated with graphene oxide (GO) using the "brushing and drying" technique. The GO nanosheets coated control PAN and wool/PAN hybrid fibres were chemically reduced through hydrazine vapour exposure. The Fourier transform infrared spectroscopy showed the presence of both protein and nitrile peaks in the wool/PAN hybrid fibres, although the amide I and amide A groups had disappeared, due to the dissolution of wool. The morphological and structural analysis revealed effective coating and reduction of the fibres through GO nanosheets and hydrazine, respectively. The hybrid fibre showed higher electrical conductivity (~ 180 S/cm) compared to the control PAN fibres (~ 95 S/cm), confirming an effective bonding between the hydroxyl and carboxylic groups of the GO sheets and the amino groups of wool evidenced by chemical analysis. Hence, the graphene oxide incorporated wool/PAN hybrid fibres may provide a promising solution for eco-friendly smart textile applications.

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Section: Characterization Of the Wool/pan/go And Wool/pan/reduced Go Hybrid Fibresmentioning

confidence: 99%

Graphene oxide incorporated waste wool/PAN hybrid fibres

Faruque

Remadevi

Guirguis

et al. 2021

Sci Rep

Self Cite

View full text Add to dashboard Cite

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“…In recent years, the perforation of 2D materials has emerged as an effective way to enhance their electronic, mechanical, and optical properties, and to broaden their applicability in ways that go beyond their pristine structure [23][24][25][26][27][28][29]. Perforated graphene, which is also known as holey graphene (HG), turns out to be permeable due to its small holes.…”

Section: Introductionmentioning

confidence: 99%

Optical excitations and thermoelectric properties of two-dimensional holey graphene

2020

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Recently, holey graphene (HG) was synthesized successfully at atomic precision with regard to hole size and shape, which indicates that HG has interesting physical and chemical properties for energy and environmental applications. The shaping of the pores also transforms semimetallic graphene into semiconductor HG, which opens new doors for its use in electronic applications. We investigated systematically the structural, electronic, optical, and thermoelectric properties of HG structure using first-principles calculations. HG was found to have a direct band gap of 0.65 eV (PBE functional) and 0.95 eV (HSE06 functional); the HSE06 functional is in good agreement with experimental results. For the optical properties, we used single-shot G 0 W 0 calculations by solving the Bethe-Salpeter equation to determine the intralayer excitonic effects. From the absorption spectrum, we obtained an optical gap of 1.28 eV and a weak excitonic binding energy of 80 meV. We found large values of thermopower of 1662.59 μV/K and a better electronic figure of merit, ZT e , of 1.13 from the investigated thermoelectric properties. Our investigations exhibit strong and broad optical absorption in the visible light region, which makes monolayer HG a promising candidate for optoelectronic and thermoelectric applications.

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“…Such precisely controlled atom-by-atom removal nanopore synthesis can be conducted by electrochemical reaction 23,24 . Perforation technologies can also offer the opportunities to control the formation of pores, gaps, and bridges with nano-meter dimensions on 2D materials such as graphene experimentally [25][26][27][28] . During training, the DRL agent learns from the feedback based on the water desalination performance (e.g.…”

Section: Introductionmentioning

confidence: 99%

Efficient water desalination with graphene nanopores obtained using artificial intelligence

2021

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Two-dimensional nanomaterials, such as graphene, have been extensively studied because of their outstanding physical properties. Structure and topology of nanopores on such materials can be important for their performances in real-world engineering applications, like water desalination. However, discovering the most efficient nanopores often involves a very large number of experiments or simulations that are expensive and time-consuming. In this work, we propose a data-driven artificial intelligence (AI) framework for discovering the most efficient graphene nanopore for water desalination. Via a combination of deep reinforcement learning (DRL) and convolutional neural network (CNN), we are able to rapidly create and screen thousands of graphene nanopores and select the most energy-efficient ones. Molecular dynamics (MD) simulations on promising AI-created graphene nanopores show that they have higher water flux while maintaining rival ion rejection rate compared to the normal circular nanopores. Irregular shape with rough edges geometry of AI-created pores is found to be the key factor for their high water desalination performance. Ultimately, this study shows that AI can be a powerful tool for nanomaterial design and screening.

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Perforation routes towards practical nano-porous graphene and analogous materials engineering

Cited by 53 publications

References 79 publications

Graphene oxide incorporated waste wool/PAN hybrid fibres

Graphene oxide incorporated waste wool/PAN hybrid fibres

Optical excitations and thermoelectric properties of two-dimensional holey graphene

Efficient water desalination with graphene nanopores obtained using artificial intelligence

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