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Crystals
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Advances in Materials for Energy Conversion and Storage
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Advances in Materials for Energy Conversion and Storage

A special issue of Crystals (ISSN 2073-4352). This special issue belongs to the section "Materials for Energy Applications".

Deadline for manuscript submissions: 20 August 2025 | Viewed by 4459

Special Issue Editors

Dr. Palanisamy Rajkumar

E-Mail Website
Guest Editor
School of Mechanical Engineering, Yeungnam University, Gyeongsan-si 38541, Gyeongbuk-do, Republic of Korea
Interests: lithium-sulfur batteries; sodium batteries; metal-ion batteries; supercapacitors; metal-ion capacitors
Dr. Vediyappan Thirumal

E-Mail Website
Guest Editor
School of Mechanical Engineering, Yeungnam University, Gyeongsan 38541, Republic of Korea
Interests: electrochemistry; carbon nanostructures; hydrogen energy; electrical energy storage; electrochemical energy research; hybrid battery type supercapacitor; new 2D-nanosheets production; hybrid energy storage
Dr. Asaithambi Sankaiya

E-Mail Website
Guest Editor
Department of Energy Environment Policy and Technology, Graduate School of Energy and Environment (KU-KIST Green School), Korea University, Seoul, Republic of Korea
Interests: high-energy density supercapacitor; carbon materials

Special Issue Information

Dear Colleagues,

The search for sustainable and efficient energy solutions has never been more critical. As we navigate the challenges of climate change and the transition to renewable energy sources, the role of materials in facilitating energy conversion and storage becomes increasingly significant. This Special Issue will focus on the latest breakthroughs in materials that can enhance the performance of solar cells, fuel cells, batteries, supercapacitors, and other energy-related technologies.

Potential topics include, but are not limited to, the following:

- Materials for next-generation batteries, including lithium-ion, sodium-ion, etc.;

- Challenges to developing materials for the transport and storage of hydrogen;

- Novel materials for photovoltaic applications and their synthesis methods;

- Advanced materials and technologies for supercapacitors;

- Advanced catalysts for fuel cell reactions and their optimization;

- Advanced materials for carbon dioxide capture and utilization;

- Nanomaterials and their role in improving energy storage capacity and efficiency;

- Smart materials that respond to environmental stimuli for energy management;

- Theoretical studies of electrochemical energy conversion and storage;

- Computational materials science and its impact on the discovery of new energy materials.

We invite you to submit original research papers or review papers, particularly focused on the synthesis, characterization, crystallographic characteristics, and performance studies of materials. 

Dr. Palanisamy Rajkumar
Dr. Vediyappan Thirumal
Dr. Asaithambi Sankaiya
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. Crystals is an international peer-reviewed open access monthly 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 2100 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

  • energy conversion
  • energy storage
  • batteries
  • supercapacitors
  • fuel cells
  • catalysts

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Further information on MDPI's Special Issue policies can be found here.

Published Papers (5 papers)

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Research

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11 pages, 4078 KiB  
Article
Solvent Engineering for Layer Formation Control with Cost-Effective Hole Transport Layer in High-Efficiency Perovskite Solar Cell
by Jinyoung Kim, Gyu Min Kim and Se Young Oh
Crystals 2025, 15(4), 375; https://doi.org/10.3390/cryst15040375 - 18 Apr 2025
Viewed by 153
Abstract
Among hole transport materials (HTMs), 2,2′,7,7′-Tetrakis(N,N-di-p-methoxyphenylamino)-9,9′-spirobifluorene (spiro-OMeTAD) is the most frequently adopted, due to its suitable energy band level in conventional-type perovskite solar cells (PSCs). However, the high price of spiro-OMeTAD is an obstacle faced in its research and [...] Read more.
Among hole transport materials (HTMs), 2,2′,7,7′-Tetrakis(N,N-di-p-methoxyphenylamino)-9,9′-spirobifluorene (spiro-OMeTAD) is the most frequently adopted, due to its suitable energy band level in conventional-type perovskite solar cells (PSCs). However, the high price of spiro-OMeTAD is an obstacle faced in its research and commercialization. In our previous work, we introduced a low-cost HTM, (E,E,E,E)-4,4′,4″,4‴-[Benzene-1,2,4,5-tetrayltetrakis(ethene-2,1-diyl)]tetrakis[N,N-bis(4-methoxyphenyl)aniline] (α2); however, it was immiscible in the conventional solvent chlorobenzene, leading to the adoption of dichloromethane (DCM) as an alternative. Nevertheless, its high vapor pressure led to poor reproducibility, limiting its practical applicability. To address this issue, we investigated alternative solvents to DCM to facilitate the application of α2 to dichloride alkane materials, from 1,2-dichloroethane (DCE) to 1,4-dichlorobutane. In these materials, DCE exhibits the most superior properties in terms of layer formation control, due to its vapor pressure in spin-coating. Accordingly, a PSC containing α2-DCE HTL showed high performance, with 1.15V of open-circuit voltage and a 22.7% power conversion efficiency. Full article
(This article belongs to the Special Issue Advances in Materials for Energy Conversion and Storage)
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19 pages, 8409 KiB  
Article
Design of Co0.85Se Microsphere-like Architectures for High-Performance Hybrid Supercapacitors
by John Anthuvan Rajesh, Sang-Jun Kwon, Ramu Manikandan, Soon-Hyung Kang and Kwang-Soon Ahn
Crystals 2025, 15(3), 217; https://doi.org/10.3390/cryst15030217 - 24 Feb 2025
Viewed by 391
Abstract
This study presents the synthesis of Co0.85Se microsphere-like structures on nickel foam (NF) substrates for high-performance HSC applications. The Co0.85Se microspheres were synthesized using a two-step hydrothermal process, yielding well-distributed—albeit non-uniform—structures on the NF substrate. The electrochemical performance of [...] Read more.
This study presents the synthesis of Co0.85Se microsphere-like structures on nickel foam (NF) substrates for high-performance HSC applications. The Co0.85Se microspheres were synthesized using a two-step hydrothermal process, yielding well-distributed—albeit non-uniform—structures on the NF substrate. The electrochemical performance of the Co0.85Se/NF electrode, evaluated in a three-electrode system, demonstrated remarkable characteristics, including a high specific capacity of 719 C g−¹ at 1 A g⁻¹ and outstanding long-term cycling stability, with 87.1% capacity retention over 10,000 charge-discharge cycles. To assess the practical applicability of the Co0.85Se/NF electrode, a hybrid supercapacitor device was assembled using activated carbon (AC) as the negative electrode and Co0.85Se/NF as the positive electrode. The Co0.85Se/NF//AC HSC device exhibited remarkable electrochemical performance, achieving a high energy density of 66.6 Wh kg⁻¹ at a power density of 849.3 W kg⁻¹. It also maintained excellent cycling stability over 10,000 charge-discharge cycles. These findings highlight the significant potential of Co0.85Se microsphere-like structures as high-performance electrode materials for hybrid supercapacitors, paving the way for developing efficient energy storage technologies. Full article
(This article belongs to the Special Issue Advances in Materials for Energy Conversion and Storage)
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15 pages, 3550 KiB  
Article
Enhancing Perovskite Solar Cell Stability by TCO Layer Presence Beneath MACl-Doped Perovskites
by Minkyu Song, Jinyoung Kim and Gyu Min Kim
Crystals 2025, 15(2), 152; https://doi.org/10.3390/cryst15020152 - 1 Feb 2025
Viewed by 825
Abstract
Perovskite solar cells (PSCs) have emerged as a promising photovoltaic technology, yet their stability under environmental stressors remains a critical challenge. This study examines the substrate-dependent degradation mechanisms of perovskite films and evaluates the role of methylammonium chloride (MACl) incorporation. Devices fabricated on [...] Read more.
Perovskite solar cells (PSCs) have emerged as a promising photovoltaic technology, yet their stability under environmental stressors remains a critical challenge. This study examines the substrate-dependent degradation mechanisms of perovskite films and evaluates the role of methylammonium chloride (MACl) incorporation. Devices fabricated on ITO and glass substrates exhibited markedly different stability behaviors under high-humidity conditions. ITO substrates delayed the phase transition from the black α-phase to the yellow δ-phase due to stronger substrate–film interactions and reduced defect densities, while glass substrates facilitated rapid degradation through moisture infiltration and grain boundary instability. MACl incorporation enhanced the initial crystallinity and optoelectronic properties of the perovskite films, as evidenced by superior power conversion efficiency and photon absorption. However, residual MACl under humid conditions introduced structural instability, particularly on glass substrates. To address these challenges, a fully coated ITO structure, referred to as the Island Type design, was proposed. This structure eliminates exposed glass regions, leveraging the stabilizing properties of ITO to suppress moisture infiltration and prolong device durability. The findings provide a comprehensive understanding of the interplay between substrate properties and material composition in PSC stability and highlight the potential of structural optimizations to balance efficiency and durability for commercial applications. Full article
(This article belongs to the Special Issue Advances in Materials for Energy Conversion and Storage)
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Review

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30 pages, 22720 KiB  
Review
Advanced Strategies for Mitigating Catalyst Poisoning in Low and High Temperature Proton Exchange Membrane Fuel Cells: Recent Progress and Perspectives
by Suyeon Choi, Injoon Jang and Sehyun Lee
Crystals 2025, 15(2), 129; https://doi.org/10.3390/cryst15020129 - 24 Jan 2025
Viewed by 1381
Abstract
Catalyst poisoning remains a persistent barrier to the efficiency and longevity of electrocatalytic energy conversion devices, namely fuel cells. To address this challenge, this review provides a systematic investigation of recent advancements in mitigation strategies, with particular emphasis on surface engineering, alloying, and [...] Read more.
Catalyst poisoning remains a persistent barrier to the efficiency and longevity of electrocatalytic energy conversion devices, namely fuel cells. To address this challenge, this review provides a systematic investigation of recent advancements in mitigation strategies, with particular emphasis on surface engineering, alloying, and combined approaches. Notable developments include the rational design of Pt-alloy catalysts with enhanced CO, H2S, and H3PO4 tolerance as well as the implementation of anti-poisoning molecular architectures and carbon-based protective layers. These methods collectively show considerable promise for improving catalytic activity by fine-tuning electronic structures and minimizing interactions with undesired adsorbates. In addition to presenting a comprehensive overview of the current progress, this review identifies promising future directions, guiding the design and realization of robust, poison-tolerant catalysts crucial for sustainable energy technologies. Full article
(This article belongs to the Special Issue Advances in Materials for Energy Conversion and Storage)
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22 pages, 4811 KiB  
Review
Artificial Intelligence and Li Ion Batteries: Basics and Breakthroughs in Electrolyte Materials Discovery
by Haneen Alzamer, Russlan Jaafreh, Jung-Gu Kim and Kotiba Hamad
Crystals 2025, 15(2), 114; https://doi.org/10.3390/cryst15020114 - 23 Jan 2025
Viewed by 1573
Abstract
Recent advancements in artificial intelligence (AI), particularly in algorithms and computing power, have led to the widespread adoption of AI techniques in various scientific and engineering disciplines. Among these, materials science has seen a significant transformation due to the availability of vast datasets, [...] Read more.
Recent advancements in artificial intelligence (AI), particularly in algorithms and computing power, have led to the widespread adoption of AI techniques in various scientific and engineering disciplines. Among these, materials science has seen a significant transformation due to the availability of vast datasets, through which AI techniques, such as machine learning (ML) and deep learning (DL), can solve complex problems. One area where AI is proving to be highly impactful is in the design of high-performance Li-ion batteries (LIBs). The ability to accelerate the discovery of new materials with optimized structures using AI can potentially revolutionize the development of LIBs, which are important for energy storage and electric vehicle technologies. However, while there is growing interest in using AI to design LIBs, the application of AI to discover new electrolytic systems for LIBs needs more investigation. The gap in existing research lies in the lack of a comprehensive framework that integrates AI-driven techniques with the specific requirements for electrolyte development in LIBs. This research aims to fill this gap by reviewing the application of AI for discovering and designing new electrolytic systems for LIBs. In this study, we outlined the fundamental processes involved in applying AI to this domain, including data processing, feature engineering, model training, testing, and validation. We also discussed the quantitative evaluation of structure–property relationships in electrolytic systems, which is guided by AI methods. This work presents a novel approach to use AI for the accelerated discovery of LIB electrolytes, which has the potential to significantly enhance the performance and efficiency of next-generation battery technologies. Full article
(This article belongs to the Special Issue Advances in Materials for Energy Conversion and Storage)
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