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Trends and Prospects in Advanced Energy Materials 2023

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

Deadline for manuscript submissions: 2 May 2024 | Viewed by 1859

Special Issue Editors

Vilnius University, Institute of Theoretical Physics and Astronomy, Sauletekio av. 3, LT-10222 Vilnius, Lithuania
Interests: modeling and investigation of new energy materials with important electrical and optical properties using a quantum mechanical approach; predicting and investigating chemical reactions and possible processes necessary to create a final product
Life Science Center, Institute of Biochemistry, Vilnius University, Sauletekio av. 7, LT-10257 Vilnius, Lithuania
Interests: nitrocompounds; nitramines; energetic materials; N-oxides; azides; N-heterocycles; synthesis; molecular structure; toxicity; ecotoxicology
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Special Issue Information

Dear Colleagues,

This Special Issue is focused on the trends and prospects of energy materials representing a class of materials used in a variety of ways. For example, high-energy materials could be used in the civilian sector for mining, construction, or spacecraft engineering, while in the military sector, they are applied for defense and security. Energy materials are also used for energy storage in batteries and supercapacitors, and energy conversion through solar cells, fuel cells, thermoelectric devices, etc. These materials are important in solving current global challenges such as increased energy consumption and environmental pollution.

The aim of this Special Issue is to summarize the success of the fundamental science and applied research on materials used for harvesting, conversion, storage, transmission, and utilization of energy. The issue will also include achievements in decreasing materials’ sensitivity, toxicity, instability, and proneness to decomposition or degradation over a short time. Further additions to this issue will include modern and advanced signal flare compositions, an understanding of the ignition mechanisms, and continuing development of advanced ignition methods. Moreover, techniques for the characterization of energy materials and their output as well as principles and effects of explosions will be discussed in this Special Issue. We aim to disseminate the most recent advances and perspectives related to the development of new approaches to designing and investigating advanced energy materials, and their safe application. Topics of interest for publication include but are not limited to:

  • Novel theoretical approaches to evaluating properties of high-energy materials;
  • Synthesis of advanced energy materials;
  • Properties of advanced energy materials and ways for their improvement;
  • Maintenance of high-energy materials;
  • Novel methods for high-energy materials recognition.

Dr. Jelena Tamuliene
Dr. Jonas Sarlauskas
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

  • high-energy materials
  • synthesis
  • theoretical approach
  • maintenance

Published Papers (2 papers)

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Research

16 pages, 2762 KiB  
Article
Theoretical Investigation on Selected 3-Amino-5-[(2,4,6-trinitrophenyl)amino]-1H-1,2,4-triazole Salts with Energetic Anions: A Perspective
by Jelena Tamuliene and Jonas Sarlauskas
Energies 2024, 17(2), 460; https://doi.org/10.3390/en17020460 - 17 Jan 2024
Viewed by 434
Abstract
The current work is dedicated to the search for new high-energy materials (HEMs) with improved characteristics, which are gained through agglomeration with salts. The research was performed by Becke’s three-parameter hybrid functional approach, with non-local correlation provided by Lee, Yang, and Parr, and [...] Read more.
The current work is dedicated to the search for new high-energy materials (HEMs) with improved characteristics, which are gained through agglomeration with salts. The research was performed by Becke’s three-parameter hybrid functional approach, with non-local correlation provided by Lee, Yang, and Parr, and the cc-pVTZ basis set. The structure, total energy, and heat of formation, presented as binding energy per atom of the most stable compounds formed due to 3-amino-5-[(2,4,6-trinitrophenyl) amino]-1H-1,2,4-triazole (APATO) within selected salts, were obtained to foresee its influence on resistance to shock stimuli, detonation pressure, and velocity of the materials under study. The results obtained allow us to foresee that only agglomeration with precise salts could lead to a significant improvement in the stability of the specific high-energy materials and resistance to shock stimuli. We also show that agglomeration leads to better energetic properties of the above-mentioned compound, although the improvement may be insignificant in some cases. Full article
(This article belongs to the Special Issue Trends and Prospects in Advanced Energy Materials 2023)
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11 pages, 3071 KiB  
Article
HKUST-1 as a Positive Electrode Material for Supercapattery
by Nur Hawa Nabilah Azman, Muhammad Mustaqhim Alias and Yusran Sulaiman
Energies 2023, 16(20), 7072; https://doi.org/10.3390/en16207072 - 13 Oct 2023
Viewed by 1048
Abstract
The copper-based metal-organic framework (HKUST-1) exhibits interesting properties, such as high porosity and large specific surface area, which are useful as electrode materials for supercapattery. Herein, the HKUST-1 was synthesized through a facile hydrothermal method and exhibited a typical octahedral structure with a [...] Read more.
The copper-based metal-organic framework (HKUST-1) exhibits interesting properties, such as high porosity and large specific surface area, which are useful as electrode materials for supercapattery. Herein, the HKUST-1 was synthesized through a facile hydrothermal method and exhibited a typical octahedral structure with a specific surface area of 1015.02 m2 g−1, which was calculated using the Barrett–Joyner–Halenda (BJH) method. From the three-electrode analysis, the HKUST-1 demonstrated a specific capacity of 126.2 C g−1 in 1 M LiOH. The structural fingerprint of the HKUST-1 was confirmed with Fourier-transform infrared spectroscopy, Raman spectroscopy, and X-ray diffraction spectroscopy. A supercapattery device, i.e., the HKUST-1//N-doped graphene, revealed a maximum specific power of 300 W kg−1 and a specific energy of 2.61 W h kg−1 at 1 A g−1 with 57% capacitance retention during continuous charging–discharging, even after 10,000 cycles. The HKUST-1 also demonstrated a low charge transfer resistance and a low equivalent series resistance of 7.86 Ω and 0.87 Ω, respectively, verifying its good conductivity. The prominent supercapattery performance of the HKUST-1//N-doped graphene suggested that the HKUST-1 is a promising positive electrode for supercapattery. Full article
(This article belongs to the Special Issue Trends and Prospects in Advanced Energy Materials 2023)
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