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High-Performance Materials for Energy Conversion

A special issue of Materials (ISSN 1996-1944). This special issue belongs to the section "Energy Materials".

Deadline for manuscript submissions: 20 November 2026 | Viewed by 12602

Special Issue Editors


E-Mail Website
Guest Editor
State Key Laboratory of Marine Materials, Ningbo Institute of Materials Technology and Engineering, Chinese Academy of Sciences, Ningbo 315201, China
Interests: hydrogen evolution; coating; corrosion and protection; catalyze

E-Mail Website
Guest Editor Assistant
School of Materials Science and Engineering, Yancheng Institute of Technology, Yancheng 224051, China
Interests: lithium-ion batteries; lithium-sulfur batteries; energy storage material

Special Issue Information

Dear Colleagues,

Energy conversion systems are essential for addressing global energy demands and combating climate change, and high-performance materials are at the forefront of improving the efficiency, durability, and cost-effectiveness of these technologies.

This Special Issue aims to explore the latest advancements in materials science that contribute to efficient and sustainable energy conversion technologies. This Special Issue covers a wide range of materials, including those used in solar cells, fuel cells, batteries, catalytic and thermoelectric devices, and supercapacitors, with an emphasis on their properties, fabrication methods, and performance characteristics. Topics of interest include novel material design strategies, nano-structuring approaches, advanced coatings, and material optimization techniques for energy harvesting and storage systems. Additionally, the Special Issue will highlight the role of advanced manufacturing methods in scaling these materials for practical applications. By showcasing cutting-edge research, this Special Issue seeks to guide the development of next-generation energy conversion materials that are essential for building a sustainable energy future. Authors are encouraged to submit studies that push the boundaries of material performance and bring innovative solutions to energy conversion challenges.

Dr. Guanshui Ma
Guest Editor

Dr. Hang Zhao
Guest Editor Assistant

Manuscript Submission Information

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Keywords

  • solar cells
  • fuel cells
  • batteries
  • catalysis
  • thermoelectric devices
  • supercapacitors
  • lithium–sulfur batteries
  • energy storage material

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Published Papers (7 papers)

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Research

34 pages, 3519 KB  
Article
Exploring the Synergistic Effects of Ultrafine Polyaniline Nanofibers and Oxygen-Modified Multi-Walled Carbon Nanotubes on Enhancing Pseudocapacitive Electrochemical Performance for Advanced Supercapacitors
by Fahima Djefaflia, Ouanassa Guellati, Assia Nait Merzoug, Aicha Harat, Jamal El Haskouri, Izabela Janowska and Mihaela Baibarac
Materials 2026, 19(7), 1356; https://doi.org/10.3390/ma19071356 - 29 Mar 2026
Viewed by 689
Abstract
This work reports a systematic study concerning the synthesis of pure polyaniline ultrafine nanofibers (PANI-NFs) and their nanocomposites with oxygen-functionalized carbon nanotubes (PANI-NFs/O-MWCNTs) using diluted chemical polymerization and hydrothermal processes. We investigated the synergistic effects of various synthesis parameters, such as the concentration [...] Read more.
This work reports a systematic study concerning the synthesis of pure polyaniline ultrafine nanofibers (PANI-NFs) and their nanocomposites with oxygen-functionalized carbon nanotubes (PANI-NFs/O-MWCNTs) using diluted chemical polymerization and hydrothermal processes. We investigated the synergistic effects of various synthesis parameters, such as the concentration of the ammonium persulfate oxidant agent and growth temperature, on the physical, chemical, and electrochemical properties of the resulting products through structural, morphological, spectroscopic, and electrochemical characterization. Our study revealed the successful synthesis of thermally resistant polyaniline ultrafine nanofibers (PANI-NFs) in the form of emeraldine salt (ES), exhibiting a mean diameter in the range of 8–17 nm. The PANI-NFs and PANI-NFs/O-MWCNT nanocomposites demonstrated excellent electrochemical properties, with specific capacitances of up to 0.94–1.23 F cm−2 and 1410–2074 F/g, respectively, and with good rate capability. These characteristics are confirmed by the relaxation time constant τ0 (41 and 8 ms, respectively) and lower internal R0/interfacial charge transfer RՓ resistances of around 0.2 Ω, as well as diffusion coefficients of around 10−7 and 3.7 × 10−7 cm2/s. This breakthrough in nanofiber synthesis paves the way for practical applications in diverse domains, from high-performance energy storage to biosensing and beyond, where the unique electroactive properties of the nanocomposites can be leveraged to achieve exceptional results. Full article
(This article belongs to the Special Issue High-Performance Materials for Energy Conversion)
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36 pages, 15395 KB  
Article
Numerical and Experimental Approaches for Mechanical Durability Assessment of an EV Battery Pack Case
by Hyun Soo Kim, Mingoo Cho, Changyeon Lee, Jaewoong Kim and Sungwook Kang
Materials 2025, 18(24), 5683; https://doi.org/10.3390/ma18245683 - 18 Dec 2025
Viewed by 1236
Abstract
Electric vehicle (EV) battery pack cases (BPCs) must withstand mechanical loads such as impact, compression, and vibration to ensure structural integrity and passenger safety. This study evaluates the mechanical durability of a full-scale aluminum BPC using combined experimental testing and finite element analysis [...] Read more.
Electric vehicle (EV) battery pack cases (BPCs) must withstand mechanical loads such as impact, compression, and vibration to ensure structural integrity and passenger safety. This study evaluates the mechanical durability of a full-scale aluminum BPC using combined experimental testing and finite element analysis (FEA). A bottom impact test, 200 kN compression test, and power spectral density (PSD)-based random vibration test were conducted to simulate representative operating and handling conditions. The numerical model replicated boundary conditions and load profiles identical to the experiments, enabling a direct comparison of stress distribution and deformation characteristics. The results demonstrated that stress and displacement trends predicted by FEA closely matched experimental observations, with stress concentrations appearing at corner and frame junction regions and less than 1 mm deformation recorded under peak compression loading. Vibration responses were most pronounced in the vertical direction, without bolt loosening or structural damage. These results verify the reliability of the proposed BPC design and provide quantitative evidence supporting simulation-driven lightweight battery enclosure development. Full article
(This article belongs to the Special Issue High-Performance Materials for Energy Conversion)
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25 pages, 8972 KB  
Article
Flame-Retardant Battery Pack Case Design for Delaying Thermal Runaway: A CFD and Experimental Study
by Hyun Soo Kim, Mingoo Cho, Dongwook Lee, Changyeon Lee, Jaewoong Kim and Sungwook Kang
Materials 2025, 18(24), 5605; https://doi.org/10.3390/ma18245605 - 13 Dec 2025
Cited by 2 | Viewed by 1204
Abstract
Thermal runaway (TR) in lithium-ion batteries presents a significant safety hazard for electric vehicles (EVs), often resulting in fire or explosion. Mitigating TR requires thermal-protection strategies capable of delaying or suppressing heat propagation within battery pack cases (BPCs). This study proposes a flame-retardant [...] Read more.
Thermal runaway (TR) in lithium-ion batteries presents a significant safety hazard for electric vehicles (EVs), often resulting in fire or explosion. Mitigating TR requires thermal-protection strategies capable of delaying or suppressing heat propagation within battery pack cases (BPCs). This study proposes a flame-retardant BPC design and evaluates its effectiveness through a combined approach using CFD-based thermal analysis and multiscale experimental validation. In the CFD model, a heat-source temperature of 1107 °C was applied to simulate the thermal load during TR, together with a coolant flow rate of 17 L/min. Material-level verification was conducted through high temperature specimen tests, in which flame-retardant pads were heated to a target of 1100 °C with an allowable tolerance of ±10% for 5 min; the unheated (backside) temperature remained below 160 °C. Full-scale assessment involved heating the BPC upper case at temperatures exceeding 500 °C for 10 min, where the backside temperature remained below 150 °C. Module-level TR experiments further confirmed that the flame-retardant layer reduced the external temperature from 240–260 °C to below 150 °C. The results demonstrate that the proposed design effectively delays thermal penetration and maintains external safety thresholds, offering practical guidelines for developing safer EV battery systems. Full article
(This article belongs to the Special Issue High-Performance Materials for Energy Conversion)
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13 pages, 2008 KB  
Article
Hierarchical Flaky Spinel Structure with Al and Mn Co-Doping Towards Preferable Oxygen Evolution Performance
by Hengfen Shen, Hao Du, Peng Li and Mei Wang
Materials 2025, 18(15), 3633; https://doi.org/10.3390/ma18153633 - 1 Aug 2025
Cited by 1 | Viewed by 1062
Abstract
As an efficient clean energy technology, water electrolysis for hydrogen production has its efficiency limited by the sluggish oxygen evolution reaction (OER) kinetics, which drives the demand for the development of high-performance anode OER catalysts. This work constructs bimetallic (Al, Mn) co-doped nanoporous [...] Read more.
As an efficient clean energy technology, water electrolysis for hydrogen production has its efficiency limited by the sluggish oxygen evolution reaction (OER) kinetics, which drives the demand for the development of high-performance anode OER catalysts. This work constructs bimetallic (Al, Mn) co-doped nanoporous spinel CoFe2O4 (np-CFO) with a tunable structure and composition as an OER catalyst through a simple two-step dealloying strategy. The as-formed np-CFO (Al and Mn) features a hierarchical flaky configuration; that is, there are a large number of fine nanosheets attached to the surface of a regular micron-sized flake, which not only increases the number of active sites but also enhances mass transport efficiency. Consequently, the optimized catalyst exhibits a low OER overpotential of only 320 mV at a current density of 10 mA cm−2, a minimal Tafel slope of 45.09 mV dec−1, and exceptional durability. Even under industrial conditions (6 M KOH, 60 °C), it only needs 1.83 V to achieve a current density of 500 mA cm−2 and can maintain good stability for approximately 100 h at this high current density. Theoretical simulations indicate that Al and Mn co-doping could indeed optimize the electronic structure of CFO and thus decrease the energy barrier of OER to 1.35 eV. This work offers a practical approach towards synthesizing efficient and stable OER catalysts. Full article
(This article belongs to the Special Issue High-Performance Materials for Energy Conversion)
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13 pages, 2832 KB  
Article
Multiphase NiCoFe-Based LDH for Electrocatalytic Sulfion Oxidation Reaction Assisting Efficient Hydrogen Production
by Zengren Liang, Yong Nian, Hao Du, Peng Li, Mei Wang and Guanshui Ma
Materials 2025, 18(14), 3377; https://doi.org/10.3390/ma18143377 - 18 Jul 2025
Cited by 2 | Viewed by 1411
Abstract
Sulfion oxidation reaction (SOR) has great potential in replacing oxygen evolution reaction (OER) and boosting highly efficient hydrogen evolution. The development of highly active and stable SOR electrocatalysts is crucial for assisting hydrogen production with low energy consumption. In this work, multiphase NiCoFe-based [...] Read more.
Sulfion oxidation reaction (SOR) has great potential in replacing oxygen evolution reaction (OER) and boosting highly efficient hydrogen evolution. The development of highly active and stable SOR electrocatalysts is crucial for assisting hydrogen production with low energy consumption. In this work, multiphase NiCoFe-based layered double hydroxide (namely NiCoFe-LDH) has been synthesized via a facile seed-assisted heterogeneous nucleation method. Benefiting from its unique microsized hydrangea-like structure and synergistic active phases, the catalyst delivers substantial catalytic interfaces and reactive centers for SOR. Consequently, NiCoFe-LDH electrode achieves a remarkably low potential of 0.381 V at 10 mA cm−2 in 1 M KOH + 0.1 M Na2S, representing a significant reduction of 0.98 V compared to conventional OER. Notably, under harsh industrial conditions (6 M KOH + 0.1 M Na2S, 80 °C), the electrolysis system based on NiCoFe-LDH||NF pair exhibits a cell potential of only 0.71 V at 100 mA cm−2, which shows a greater decreasing amplitude of 1.05 V compared with that of traditional OER/HER systems. Meanwhile, the NiCoFe-LDH||NF couple could maintain operational stability for 100 h without obvious potential fluctuation, as well as possessing a lower energy consumption of 1.42 kWh m−3 H2. Multiphase eletrocatalysis for SOR could indeed produce hydrogen with low-energy consumption. Full article
(This article belongs to the Special Issue High-Performance Materials for Energy Conversion)
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13 pages, 3977 KB  
Article
SiOx-Based Anode Materials with High Si Content Achieved Through Uniform Nano-Si Dispersion for Li-Ion Batteries
by Seunghyeok Jang and Jae-Hun Kim
Materials 2025, 18(14), 3272; https://doi.org/10.3390/ma18143272 - 11 Jul 2025
Cited by 2 | Viewed by 3237
Abstract
Silicon alloy-based materials are widely studied as high-capacity anode materials to replace commercial graphite in lithium-ion batteries (LIBs). Among these, silicon suboxide (SiOx) offers superior cycling performance compared to pure Si-based materials. However, achieving a high initial Coulombic efficiency (ICE) remains [...] Read more.
Silicon alloy-based materials are widely studied as high-capacity anode materials to replace commercial graphite in lithium-ion batteries (LIBs). Among these, silicon suboxide (SiOx) offers superior cycling performance compared to pure Si-based materials. However, achieving a high initial Coulombic efficiency (ICE) remains a key challenge. To address this, previous studies have explored SixO composites (x ≈ 1, 2), where nano-Si is uniformly dispersed within a Si suboxide matrix to enhance ICE. While this approach improves reversible capacity and ICE compared to conventional SiO, it still falls short of the capacity achieved with pure Si. This study employs a high-energy mechanical milling approach with increased Si content to achieve higher reversible capacity and further enhance the ICE while also examining the effects of trace oxygen uniformly distributed within the Si suboxide matrix. Structural characterization via X-ray diffraction, Raman spectroscopy, and electron microscopy confirm that Si crystallites (<10 nm) are homogeneously embedded within the SiOx matrix, reducing crystalline Si size and inducing partial amorphization. Electrochemical analysis demonstrates an ICE of 89% and a reversible capacity of 2558 mAh g−1, indicating significant performance improvements. Furthermore, carbon incorporation enhances cycling stability, underscoring the material’s potential for commercial applications. Full article
(This article belongs to the Special Issue High-Performance Materials for Energy Conversion)
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19 pages, 9996 KB  
Article
A Study on the Corrosion Behavior of Fe/Ni-Based Structural Materials in Unpurified Molten Chloride Salt
by Unho Lee, Min Wook Kim, Jisu Na, Mingyu Lee, Sung Joong Kim, Dong-Joo Kim and Young Soo Yoon
Materials 2025, 18(7), 1653; https://doi.org/10.3390/ma18071653 - 3 Apr 2025
Cited by 4 | Viewed by 2793
Abstract
The molten salt reactor is a fourth-generation nuclear power plant considered a long-term eco-friendly energy source with high efficiency and the potential for green hydrogen production. The selection of alloys for such reactors, which can operate for more than 30 years, is a [...] Read more.
The molten salt reactor is a fourth-generation nuclear power plant considered a long-term eco-friendly energy source with high efficiency and the potential for green hydrogen production. The selection of alloys for such reactors, which can operate for more than 30 years, is a primary concern because of corrosion by high-temperature molten salt. In this study, three Fe- and Ni-based alloys were selected as structural material candidates. Corrosion immersion tests were conducted in NaCl–KCl molten salt for 48 h at 800 °C and 40% RH conditions in an air environment. In the absence of moisture and oxygen removal, ClNaK salt-induced damage was observed in the investigated alloys. The corrosion behavior of the alloys was characterized using various techniques, including scanning electron microscopy, energy-dispersive X-ray spectroscopy, X-ray photoelectron spectroscopy, and Auger electron spectroscopy. The results show that the corrosion process can be explained by salt-induced surface damage, internal ion migration, and depletion to the surface. The corrosion rate is high in SS316L (16Cr-Fe), N10003 (7Cr-Ni), and C-276 (16Cr-Ni), in decreasing order. Based on the corrosion penetration, ion elution, and interfacial diffusion results, C-276 and N10003 are good candidates for structural materials for MSRs. Therefore, Ni-based alloys with high Cr content minimize surface damage and ion depletion in unpurified molten salt environments. This indicates that Ni-based alloys with high Cr content exhibit highly corrosion resistance. Full article
(This article belongs to the Special Issue High-Performance Materials for Energy Conversion)
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