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Energies
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Advanced Energy Materials: Innovations and Challenges
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Advanced Energy Materials: Innovations and Challenges

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

Deadline for manuscript submissions: 25 February 2026 | Viewed by 1228

Special Issue Editors

Dr. Jelena Tamuliene

E-Mail Website
Guest Editor
Institute of Theoretical Physics and Astronomy, Vilnius University, 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
Special Issues, Collections and Topics in MDPI journals
Dr. Jonas Sarlauskas

E-Mail Website1 Website2
Guest Editor
Life Sciences Center, Department of Xenobiotics Biochemistry, Institute of Biochemistry, Vilnius University, Sauletekio av. 7, LT-10257 Vilnius, Lithuania
Interests: modeling and investigation of new energy materials with important electrical and optical properties by using a quantum mechanical approach; predicting and investigating chemical reactions and possible processes necessary to create a final product
Special Issues, Collections and Topics in MDPI journals

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, as well as for 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 the 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, the following:

 

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

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Published Papers (3 papers)

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Research

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18 pages, 12292 KB  
Article
Role of -SF5 Groups in Modulating the Stability and Energy Characteristics of Fluorinated Molecules
by Jelena Tamuliene and Jonas Sarlauskas
Energies 2025, 18(7), 1841; https://doi.org/10.3390/en18071841 - 5 Apr 2025
Viewed by 634
Abstract
In this paper, we present our investigations into the detonation performance and stability variations caused by replacing the -CF3 or -OCF3 group with -SF5. The widely applied DFT B3LYP/cc-pVTZ approach was employed to evaluate the HOMO–LUMO gap, cohesive energy, [...] Read more.
In this paper, we present our investigations into the detonation performance and stability variations caused by replacing the -CF3 or -OCF3 group with -SF5. The widely applied DFT B3LYP/cc-pVTZ approach was employed to evaluate the HOMO–LUMO gap, cohesive energy, chemical hardness, and electronegativity. Based on these parameters, we predict the changes in chemical and thermal stability resulting from the inclusion of -SF5 instead of -CF3 or -OCF3. Our results indicate that, in some cases, the density of fluorine-containing nitro compounds decreases due to the presence of the pentafluorosulfanyl group. Additionally, machine learning techniques were used to determine the detonation pressure and velocity of fluorine–sulfur-containing compounds. Our findings suggest that fluorine-containing nitro compounds exhibit better detonation performance and stability than fluorine–sulfur-containing ones. Overall, the pentafluorosulfanyl groups inclusion of aromatic polynitro compounds improved neither the stability nor the detonation properties such as -CF3 or -OCF3 groups. Full article
(This article belongs to the Special Issue Advanced Energy Materials: Innovations and Challenges)
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Review

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15 pages, 2191 KB  
Review
An Overview of Electrocatalysts Derived from Recycled Lithium-Ion Batteries for Metal–Air Batteries: A Review
by Karmegam Dhanabalan, Ganesan Sriram and Tae Hwan Oh
Energies 2025, 18(18), 4933; https://doi.org/10.3390/en18184933 - 16 Sep 2025
Viewed by 137
Abstract
Waste lithium-ion batteries (LIBs), which usually contain dangerous organic electrolytes and transition metals, including nickel, cobalt, iron, and manganese, can hurt the environment and human health. Substantial advancements have been achieved in employing high-efficiency, economical, and environmentally sustainable techniques for the recycling of [...] Read more.
Waste lithium-ion batteries (LIBs), which usually contain dangerous organic electrolytes and transition metals, including nickel, cobalt, iron, and manganese, can hurt the environment and human health. Substantial advancements have been achieved in employing high-efficiency, economical, and environmentally sustainable techniques for the recycling of spent LIBs. Converting exhausted LIBs into efficient energy conversion catalysts straightforwardly is a good strategy for addressing metal resource constraints and clean energy concerns. This transforms waste cathodes, anodes, binders, and separators from depleted LIBs into electrocatalysts free of platinum group metals for the oxygen evolution reaction (OER) and the oxygen reduction reaction (ORR). The composite, including transition metal oxide, graphene oxide, and carbon mass, will be synthesized from spent LIBs, demonstrating enhanced electrocatalytic activity. Utilizing “waste-to-energy” methods for used LIBs as catalysts would provide substantial benefits in environmental preservation and the effective production of functional materials in metal–air batteries. Full article
(This article belongs to the Special Issue Advanced Energy Materials: Innovations and Challenges)
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54 pages, 28708 KB  
Review
Recent Progress in the Synthesis of Layered Double Hydroxides and Their Surface Modification for Supercapacitor Application
by Ganesan Sriram, Karmegam Dhanabalan and Tae Hwan Oh
Energies 2025, 18(18), 4846; https://doi.org/10.3390/en18184846 - 11 Sep 2025
Viewed by 212
Abstract
The need for energy storage and the rapid development of new electronic platforms have prompted intense research into small and secure energy storage devices, particularly supercapacitors (SCs). Layered double hydroxides (LDHs) are potential electrode materials for SCs because of their excellent physicochemical and [...] Read more.
The need for energy storage and the rapid development of new electronic platforms have prompted intense research into small and secure energy storage devices, particularly supercapacitors (SCs). Layered double hydroxides (LDHs) are potential electrode materials for SCs because of their excellent physicochemical and electrical characteristics. They involve interlayer spacing, high oxidation states, simplicity of synthesis, and distinct morphologies. Despite their potential, several kinds of LDHs still face constraints, such as particle aggregation, moderate surface area, and high resistance, which limit their use in energy storage. To overcome these challenges and enhance the electrochemical performance of LDHs, they have used strategies such as anion intercalation, oxygen vacancy, heteroatom, surfactant, fluorine, and metal doping, which have been demonstrated as electrode materials for SCs. Therefore, this review discusses recent advances in different LDHs and studies comparing bare and modified LDH for three- and two-electrode systems, with an emphasis on their morphologies, surface areas, and electrical properties for SC applications. It was found that modified LDHs achieve enhanced electrochemical performance in comparison to their corresponding bare LDHs. Consequently, there are potential opportunities to modify the surface of the recently invented LDHs for electrochemical investigations, which could result in improving their performance. This review also presents future perspectives on LDH-based energy storage devices for supercapacitors. Full article
(This article belongs to the Special Issue Advanced Energy Materials: Innovations and Challenges)
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