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Advances in Two-Dimensional Materials for Energy Applications

A special issue of Energies (ISSN 1996-1073). This special issue belongs to the section "D1: Advanced Energy Materials".

Deadline for manuscript submissions: closed (30 September 2023) | Viewed by 4700

Special Issue Editors


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Guest Editor
Department of Physics, University of Gujrat, Gujrat 50700, Pakistan
Interests: experimental and computational study of semiconductors; electronic optoelectronic, and magnetic devices

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Guest Editor
Mechanical and Industrial Engineering Department, Abu Dhabi University, Abu Dhabi, United Arab Emirates
Interests: energy materials and applications

Special Issue Information

Dear Colleagues,

Two-dimensional (2D) materials are a versatile class of nanomaterials which can either be synthesized or exfoliated from layered van der Waals solids. Energy harvesting, storage and conversion using 2D materials is replacing conventional technologies to operate household and industrial appliances, electrify vehicles and meet growing energy needs. The synthesis of atomically thick graphene layers in 2004 started widespread research efforts to prepare more planar structures including metals, metallic oxides, sulphides, carbides, nitrides, borides, composites, polymers and metal-organic frameworks for energy-related applications. The variety of novel 2D materials exhibit exceptional electronic, optical, magnetic, mechanical, electrochemical, transport and surface properties in comparison to their bulk counterparts. The preparation of several 2D materials with controllable conditions has been reported, but the majority of these materials have been theoretically predicted via first-principles methodologies. Considering the future requirements of the energy devices, more consistent research and industrial efforts are needed to further improve the synthesis strategies and hence prepare reproducible 2D materials with high yield, large area and good crystal quality. The applications of 2D materials include but are not limited to rechargeable metal (Li, Na, K, Ca, Mg, Al) ion batteries, supercapacitors, metal-air batteries, fuel cells, Li-S batteries, photovoltaic cells, photocatalytic water splitting, hydrogen production and storage, atmospheric CO2 reduction etc. This Special Issue is dedicated to highlighting the research efforts, either experimental or theoretical, regarding the utilization of 2D materials for energy-related applications to explore further opportunities, overcome challenges and promote the human efforts in this regard.

Prof. Dr. Abdul Majid
Dr. Mohammad Alkhedher
Guest Editors

Manuscript Submission Information

Manuscripts should be submitted online at www.mdpi.com by registering and logging in to this website. Once you are registered, click here to go to the submission form. Manuscripts can be submitted until the deadline. All submissions that pass pre-check are peer-reviewed. Accepted papers will be published continuously in the journal (as soon as accepted) and will be listed together on the special issue website. Research articles, review articles as well as short communications are invited. For planned papers, a title and short abstract (about 100 words) can be sent to the Editorial Office for announcement on this website.

Submitted manuscripts should not have been published previously, nor be under consideration for publication elsewhere (except conference proceedings papers). All manuscripts are thoroughly refereed through a single-blind peer-review process. A guide for authors and other relevant information for submission of manuscripts is available on the Instructions for Authors page. Energies is an international peer-reviewed open access semimonthly journal published by MDPI.

Please visit the Instructions for Authors page before submitting a manuscript. The Article Processing Charge (APC) for publication in this open access journal is 2600 CHF (Swiss Francs). Submitted papers should be well formatted and use good English. Authors may use MDPI's English editing service prior to publication or during author revisions.

Keywords

  • 2D Materials, 2D Porous materials, 2D heterostructures
  • experimental/theoretical studies doping, adsorption
  • layered materials
  • photocatalysis, electrocatalysis, Li-S batteries
  • energy storage and conversion
  • electrodes
  • intercalation compounds, intercalation
  • nanosheets, monolayers, thin films
  • oxygen reduction (ORR), oxygen evolution reaction (OER), hydrogen evolution reaction (HER)
  • electrochemical, electrochemistry
  • rechargeable metal ion batteries
  • supercapacitors
  • metal-air batteries
  • fuel cells
  • li-S batteries
  • photovoltaic cells (photocells, dye-sensitized solar cells)
  • photocatalytic water splitting
  • hydrogen production and storage
  • atmospheric CO2 reduction
  • piezoelectricity, thermoelectricity, spintronics
  • gas sensing, photodetectors

Published Papers (3 papers)

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Research

15 pages, 3932 KiB  
Article
Theoretical Investigation of Origin of Quantized Conduction in 2D Layered Ruddleson–Popper Perovskite Heterostructure for the RRAM Applications
by Umbreen Rasheed, Muhammad Imran, Abdul Shakoor, Niaz Ahmad Niaz, Fayyaz Hussain, Rana Muhammad Arif Khalil, Mohammad Alkhedher and Sayed M. Eldin
Energies 2022, 15(24), 9410; https://doi.org/10.3390/en15249410 - 12 Dec 2022
Cited by 3 | Viewed by 1268
Abstract
Quantized conduction achieved in layered materials offers a wide range of applications in electronics. A comprehensive analysis of electronic properties of Sr2ZrO4/TiN- and Sr2ZrO4/TaN-layered heterostructure is carried out using plane wave-based first principles calculations. To [...] Read more.
Quantized conduction achieved in layered materials offers a wide range of applications in electronics. A comprehensive analysis of electronic properties of Sr2ZrO4/TiN- and Sr2ZrO4/TaN-layered heterostructure is carried out using plane wave-based first principles calculations. To understand the origin of quantized conduction, the role of oxygen vacancies (Vos) in 2D layered Ruddleson–Popper perovskite (Sr2ZrO4) is analyzed using density of states, isosurface, and integrated charge density plots. The origin of quantized states formed near the Fermi level is proposed in terms of charge conduction layer formed at the interface. The comprehensive insight of Sr2ZrO4/TiN and Sr2ZrO4/TaN heterostructure interface is provided by shedding light on the charge redistribution from charge density and Bader charge analysis. Meanwhile, work function is calculated for the confirmation of charge conducting behavior of the two layered heterostructures. The interface of these two layered heterostructures revealed the quantized conduction phenomena which cannot be achieved with either layer alone. Stable switching achieved withaTaN electrode being an important task for robust RS and solving sneak path related problem is opening roadmap for 2D layered RRAM devices. Full article
(This article belongs to the Special Issue Advances in Two-Dimensional Materials for Energy Applications)
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13 pages, 2525 KiB  
Article
DFT Study of Heteronuclear (TMFeO3)x Molecular Clusters (Where TM = Sc, Ti, Fe and x = 2, 4, 8) for Photocatalytic and Photovoltaic Applications
by Abdul Majid, Sidra Arif, Tariq M. Younes, Mohammad Alkhedher and Sayed M. ElDin
Energies 2022, 15(19), 7253; https://doi.org/10.3390/en15197253 - 2 Oct 2022
Cited by 2 | Viewed by 1504
Abstract
The computational modeling of metal oxide clusters for photovoltaic application is carried out by using density functional theory. The structural and electronic properties of heteronuclear (TMFeO3)x molecular clusters (where x = 2, 4, 8 and TM = Sc, Ti, Fe) [...] Read more.
The computational modeling of metal oxide clusters for photovoltaic application is carried out by using density functional theory. The structural and electronic properties of heteronuclear (TMFeO3)x molecular clusters (where x = 2, 4, 8 and TM = Sc, Ti, Fe) are investigated in detail. The physical parameters such as energy gap, formation energy, binding energy, and stability are determined. The computed values and trends in electronegativity (χ), chemical potential (μ), hardness (η) and softness (S), positions of highest occupied molecular orbitals (HOMO) and lowest unoccupied molecular orbitals (LUMO), and HOMO-LUMO gap with varying cluster sizes are discussed. The iso-surface plots with relaxed structure related to the frontier MOs are described to shed light on the charge transfer mechanism. In the entire series of the studied clusters, the computed gap of (Fe2O3)8 was found minimal and thus suitable for red light absorption, whereas (TiFeO3)2 exhibited a maximum gap which shows potential for blue light absorption. The clusters exhibiting different values of the gap are found suitable to absorb the solar radiation. HOMO and LUMO position with their energy differences in the clusters are found compatible for applications in photocatalytic and photovoltaic applications. The observed trend in the computed parameters points to the potential of the simulated materials for application in a TiO2-based semiconducting photoanode to harvest sunlight. Full article
(This article belongs to the Special Issue Advances in Two-Dimensional Materials for Energy Applications)
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9 pages, 1443 KiB  
Article
Fabrication of Graphene Sheets Using an Atmospheric Pressure Thermal Plasma Jet System
by Shams ur Rahman, Waqqar Ahmed, Najeeb Ur Rehman, Mohammad Alkhedher and ElSayed M. Tag El Din
Energies 2022, 15(19), 7245; https://doi.org/10.3390/en15197245 - 2 Oct 2022
Cited by 2 | Viewed by 1336
Abstract
The mass production of cost-effective, large area, defect-free and high crystal quality graphene sheets with a high yield is a challenging task. In order to investigate the mechanisms involved, we report on the synthesis of graphene sheets by a homemade atmospheric pressure thermal [...] Read more.
The mass production of cost-effective, large area, defect-free and high crystal quality graphene sheets with a high yield is a challenging task. In order to investigate the mechanisms involved, we report on the synthesis of graphene sheets by a homemade atmospheric pressure thermal plasma jet system, which is a single-step and less time-consuming technique. The samples were prepared by using pure Ar gas and a mixture of Ar and N2. The microstructure of the synthesized graphene sheets was characterized with the help of Raman spectroscopy, field emission scanning electron microscopy (FE-SEM) and Fourier transform infrared (FTIR) spectroscopy. The appearance of G and 2D peaks in the Raman spectrum confirmed the formation of graphene. Moreover, we observed that the addition of nitrogen increased the production of the graphene sheets but compromised the quality of those graphene sheets by increasing their structural defects. The morphology of the synthesized samples studied via FE-SEM images showed that the sheets were composed of multilayers. FTIR spectra show the presence of C=C and a hydroxyl group directly bonded to the aromatic hydrocarbon. Full article
(This article belongs to the Special Issue Advances in Two-Dimensional Materials for Energy Applications)
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