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Ultrasonication-assisted synthesis of 2D porous MoS2/GO nanocomposite catalysts as high-performance hydrodesulfurization catalysts of vacuum gasoil: Experimental and DFT study

Zohal Safaei Mahmoudabadi, Alimorad Rashidi, Ahmad Tavasoli, Mehdi Esrafili, Mohammad Panahi, Mojtaba Askarieh, Saeid Khodabakhshi

Ultrasonics Sonochemistry, Volume: 74, Start page: 105558

Swansea University Author: Saeid Khodabakhshi

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DOI (Published version): 10.1016/j.ultsonch.2021.105558

Abstract

In this study, a novel, simple, high yield, and scalable method is proposed to synthesize highly porous MoS2/graphene oxide (M−GO) nanocomposites by reacting the GO and co-exfoliation of bulky MoS2 in the presence of polyvinyl pyrrolidone (PVP) under different condition of ultrasonication. Also, the...

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Published in: Ultrasonics Sonochemistry
ISSN: 1350-4177
Published: Elsevier BV 2021
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URI: https://cronfa.swan.ac.uk/Record/cronfa56861
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spelling 2021-05-25T15:11:15.2592173 v2 56861 2021-05-13 Ultrasonication-assisted synthesis of 2D porous MoS2/GO nanocomposite catalysts as high-performance hydrodesulfurization catalysts of vacuum gasoil: Experimental and DFT study 547fd5929a2fd30733277eca799fbf9b Saeid Khodabakhshi Saeid Khodabakhshi true false 2021-05-13 EAAS In this study, a novel, simple, high yield, and scalable method is proposed to synthesize highly porous MoS2/graphene oxide (M−GO) nanocomposites by reacting the GO and co-exfoliation of bulky MoS2 in the presence of polyvinyl pyrrolidone (PVP) under different condition of ultrasonication. Also, the effect of ultrasonic output power on the particle size distribution of metal cluster on the surface of nanocatalysts is studied. It is found that the use of the ultrasonication method can reduce the particle size and increase the specific surface area of M−GO nanocomposite catalysts which leads to HDS activity is increased. These nanocomposite catalysts are characterized by XRD, Raman spectroscopy, SEM, STEM, HR-TEM, AFM, XPS, ICP, BET surface, TPR and TPD techniques. The effects of physicochemical properties of the M−GO nanocomposites on the hydrodesulfurization (HDS) reactions of vacuum gas oil (VGO) has been also studied. Catalytic activities of MoS2-GO nanocomposite are investigated by different operating conditions. M9-GO nanocatalyst with high surface area (324 m2/g) and large pore size (110.3 Å), have the best catalytic performance (99.95%) compared with Co-Mo/γAl2O3 (97.91%). Density functional theory (DFT) calculations were also used to elucidate the HDS mechanism over the M−GO catalyst. It is found that the GO substrate can stabilize MoS2 layers through weak van der Waals interactions between carbon atoms of the GO and S atoms of MoS2. At both Mo- and S-edges, the direct desulfurization (DDS) is found as the main reaction pathway for the hydrodesulfurization of DBT molecules. Journal Article Ultrasonics Sonochemistry 74 105558 Elsevier BV 1350-4177 Hydrodesulfurization (HDS), Vacuum gas oil, MoS2, Graphene oxide, Nano composite catalyst 1 6 2021 2021-06-01 10.1016/j.ultsonch.2021.105558 COLLEGE NANME Engineering and Applied Sciences School COLLEGE CODE EAAS Swansea University 2021-05-25T15:11:15.2592173 2021-05-13T10:01:42.4770608 Faculty of Science and Engineering School of Engineering and Applied Sciences - Chemical Engineering Zohal Safaei Mahmoudabadi 1 Alimorad Rashidi 2 Ahmad Tavasoli 3 Mehdi Esrafili 4 Mohammad Panahi 5 Mojtaba Askarieh 6 Saeid Khodabakhshi 7 56861__19866__050eadd5cfb2445e9933df02f31c0f65.pdf 56861.pdf 2021-05-13T10:03:50.0352166 Output 18700188 application/pdf Version of Record true © 2021 The Author(s). This is an open access article under the CC BY-NC-ND license true eng http://creativecommons.org/licenses/by-nc-nd/4.0/
title Ultrasonication-assisted synthesis of 2D porous MoS2/GO nanocomposite catalysts as high-performance hydrodesulfurization catalysts of vacuum gasoil: Experimental and DFT study
spellingShingle Ultrasonication-assisted synthesis of 2D porous MoS2/GO nanocomposite catalysts as high-performance hydrodesulfurization catalysts of vacuum gasoil: Experimental and DFT study
Saeid Khodabakhshi
title_short Ultrasonication-assisted synthesis of 2D porous MoS2/GO nanocomposite catalysts as high-performance hydrodesulfurization catalysts of vacuum gasoil: Experimental and DFT study
title_full Ultrasonication-assisted synthesis of 2D porous MoS2/GO nanocomposite catalysts as high-performance hydrodesulfurization catalysts of vacuum gasoil: Experimental and DFT study
title_fullStr Ultrasonication-assisted synthesis of 2D porous MoS2/GO nanocomposite catalysts as high-performance hydrodesulfurization catalysts of vacuum gasoil: Experimental and DFT study
title_full_unstemmed Ultrasonication-assisted synthesis of 2D porous MoS2/GO nanocomposite catalysts as high-performance hydrodesulfurization catalysts of vacuum gasoil: Experimental and DFT study
title_sort Ultrasonication-assisted synthesis of 2D porous MoS2/GO nanocomposite catalysts as high-performance hydrodesulfurization catalysts of vacuum gasoil: Experimental and DFT study
author_id_str_mv 547fd5929a2fd30733277eca799fbf9b
author_id_fullname_str_mv 547fd5929a2fd30733277eca799fbf9b_***_Saeid Khodabakhshi
author Saeid Khodabakhshi
author2 Zohal Safaei Mahmoudabadi
Alimorad Rashidi
Ahmad Tavasoli
Mehdi Esrafili
Mohammad Panahi
Mojtaba Askarieh
Saeid Khodabakhshi
format Journal article
container_title Ultrasonics Sonochemistry
container_volume 74
container_start_page 105558
publishDate 2021
institution Swansea University
issn 1350-4177
doi_str_mv 10.1016/j.ultsonch.2021.105558
publisher Elsevier BV
college_str Faculty of Science and Engineering
hierarchytype
hierarchy_top_id facultyofscienceandengineering
hierarchy_top_title Faculty of Science and Engineering
hierarchy_parent_id facultyofscienceandengineering
hierarchy_parent_title Faculty of Science and Engineering
department_str School of Engineering and Applied Sciences - Chemical Engineering{{{_:::_}}}Faculty of Science and Engineering{{{_:::_}}}School of Engineering and Applied Sciences - Chemical Engineering
document_store_str 1
active_str 0
description In this study, a novel, simple, high yield, and scalable method is proposed to synthesize highly porous MoS2/graphene oxide (M−GO) nanocomposites by reacting the GO and co-exfoliation of bulky MoS2 in the presence of polyvinyl pyrrolidone (PVP) under different condition of ultrasonication. Also, the effect of ultrasonic output power on the particle size distribution of metal cluster on the surface of nanocatalysts is studied. It is found that the use of the ultrasonication method can reduce the particle size and increase the specific surface area of M−GO nanocomposite catalysts which leads to HDS activity is increased. These nanocomposite catalysts are characterized by XRD, Raman spectroscopy, SEM, STEM, HR-TEM, AFM, XPS, ICP, BET surface, TPR and TPD techniques. The effects of physicochemical properties of the M−GO nanocomposites on the hydrodesulfurization (HDS) reactions of vacuum gas oil (VGO) has been also studied. Catalytic activities of MoS2-GO nanocomposite are investigated by different operating conditions. M9-GO nanocatalyst with high surface area (324 m2/g) and large pore size (110.3 Å), have the best catalytic performance (99.95%) compared with Co-Mo/γAl2O3 (97.91%). Density functional theory (DFT) calculations were also used to elucidate the HDS mechanism over the M−GO catalyst. It is found that the GO substrate can stabilize MoS2 layers through weak van der Waals interactions between carbon atoms of the GO and S atoms of MoS2. At both Mo- and S-edges, the direct desulfurization (DDS) is found as the main reaction pathway for the hydrodesulfurization of DBT molecules.
published_date 2021-06-01T14:09:50Z
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score 11.247077

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