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Batteries
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Advances in Carbon-Based Materials for Energy Storage
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Advances in Carbon-Based Materials for Energy Storage

A special issue of Batteries (ISSN 2313-0105). This special issue belongs to the section "Battery Materials and Interfaces: Anode, Cathode, Separators and Electrolytes or Others".

Deadline for manuscript submissions: closed (20 June 2023) | Viewed by 15566

Special Issue Editors

Prof. Dr. Chu Liang

E-Mail Website
Guest Editor
Zhejiang Carbon Neutral Innovation Institute & College of Materials Science and Engineering, Zhejiang University of Technology, Hangzhou 310014, China
Interests: CO2 utilization and carbon materials; advanced hydrogen production and hydrogen storage materials; key materials for high-performance secondary batteries
Dr. Shaohua Lu

E-Mail Website
Guest Editor
College of Materials Science and Engineering, Zhejiang University of Technology, Hangzhou 310014, China
Interests: density functional theory calculation of battery materials; structure prediction of novel anode materials; Li/Na/K-ion batteries; swarm intelligence algorithm

Special Issue Information

Dear Colleagues,

Carbon can form sp, sp2, and sp3 hybridized orbitals and, therefore, is extremely versatile in bonding diversity and the resultant electronic properties. Carbon-based materials have found wide applications in the field of batteries in the past few decades, and tremendous effort has been devoted to developing novel materials for anodes, cathodes, and electrolytes, the designing new cells, and improving electrochemical performance by forming hitherto unknown nanocomposites.

Furthermore, the theoretical design of novel carbon-based materials for anodes, cathodes, and electrolytes are now becoming possible with the development of ab initio methods, such as density functional theory (DFT), and the exponentially growing power of computation. Moreover, application of the DFT level method has led to better understanding of the ion transportation mechanisms of carbon-based materials and their effect on the battery performance.

The aim of this Special Issue is to present the state-of-the-art research progress in the field of carbon-based materials for energy storage.

Topics of interest include, but are not limited to:

  • carbon-based materials for secondary batteries;
  • novel two-dimensional materials for energy storage applications;
  • lithium/sodium/potassium-ion batteries;
  • lithium or zinc oxygen/sulfur batteries;
  • Ni-MH batteries;
  • advanced materials for supercapacitors;
  • hydrogen storage materials and carbon-based materials for Fuel cells;
  • novel fabrication methods for carbon-based composites;
  • global structure search of novel carbon-based materials for battery;
  • structure-related functionality relations of energy storage materials;
  • anode, cathode, electrolyte materials for solid state batteries.

Prof. Dr. Chu Liang
Dr. Shaohua Lu
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. Batteries 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 2700 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.

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

Published Papers (5 papers)

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Research

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12 pages, 2879 KiB  
Article
A Novel BC2N Monolayer as Anode Material for Li-Ion Battery
by Xiaowei Chen, Jiahe Lin, Qiubao Lin, Renquan Li and Hongsheng He
Batteries 2023, 9(6), 315; https://doi.org/10.3390/batteries9060315 - 6 Jun 2023
Cited by 7 | Viewed by 1821
Abstract
The stability, mechanical and electronic properties of a BC2N monolayer and its potential use as an anode material for Li-ion batteries were explored using the density functional theory calculation. The proposed BC2N monolayer shows good thermal and dynamical stabilities, [...] Read more.
The stability, mechanical and electronic properties of a BC2N monolayer and its potential use as an anode material for Li-ion batteries were explored using the density functional theory calculation. The proposed BC2N monolayer shows good thermal and dynamical stabilities, as indicated by the ab initio molecular dynamics simulations and phonon dispersion calculations. The BC2N monolayer exhibits highly anisotropic mechanical properties. The electronic structure calculation based on the hybrid functional suggests that the BC2N monolayer is an indirect bandgap (~1.8 eV) semiconductor. The BC2N monolayer shows linear dichroism and is able to harvest visible and ultraviolet light. To investigate the application of the BC2N monolayer as a potential anode material for Li-ion batteries, the Li adsorption and diffusion on the monolayer were studied. The BC2N monolayer exhibits a high theoretical capacity of 1098 mAh/g for Li-ion batteries. The calculated diffusion barrier of Li ion is 0.45 eV, suggesting a rapid Li-ion charge and discharge rate. The unique mechanical and optical properties of the BC2N monolayer also make it an attractive material for use in advanced nanomechanical and optoelectronic devices. Full article
(This article belongs to the Special Issue Advances in Carbon-Based Materials for Energy Storage)
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11 pages, 2707 KiB  
Article
C4S Nanosheet: A Potential Anode Material for Potassium-Ion Batteries
by Shaohua Lu, Enhao Lu, Kai Zhu and Xiaojun Hu
Batteries 2023, 9(6), 288; https://doi.org/10.3390/batteries9060288 - 24 May 2023
Cited by 5 | Viewed by 1802
Abstract
Potassium ion batteries (KIBs) have received increasing popularity owing to their distinct advantages. We discover a hitherto unknown C4S nanosheet, a novel carbon-based material with carbon and sulfur consisting of pentagons and hexagons rings. The proposed C4S nanosheet is [...] Read more.
Potassium ion batteries (KIBs) have received increasing popularity owing to their distinct advantages. We discover a hitherto unknown C4S nanosheet, a novel carbon-based material with carbon and sulfur consisting of pentagons and hexagons rings. The proposed C4S nanosheet is highly stable dynamically, thermodynamically, mechanically, and chemically, according to first-principles calculations. Moreover, the graphene-like C4S nanosheet is a prospective KIBs anode material, which has a metallic band structure, a relatively low diffusion barrier (0.07 eV), a large capacity (1340 mA h g−1), and an acceptable average voltage (0.44 V). Finally, we demonstrate good cycling stability of the C4S nanosheet. Our findings indicate that the proposed C4S nanosheet is a potentially favorable KIBs anode material. Full article
(This article belongs to the Special Issue Advances in Carbon-Based Materials for Energy Storage)
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13 pages, 2485 KiB  
Article
Dehydrogenation of Alkali Metal Aluminum Hydrides MAlH4 (M = Li, Na, K, and Cs): Insight from First-Principles Calculations
by Rui Zhou, Xiaohua Mo, Yong Huang, Chunyan Hu, Xiaoli Zuo, Yu Ma, Qi Wei and Weiqing Jiang
Batteries 2023, 9(3), 179; https://doi.org/10.3390/batteries9030179 - 19 Mar 2023
Cited by 5 | Viewed by 1941
Abstract
Complex aluminum hydrides with high hydrogen capacity are among the most promising solid-state hydrogen storage materials. The present study determines the thermal stability, hydrogen dissociation energy, and electronic structures of alkali metal aluminum hydrides, MAlH4 (M = Li, Na, K, and Cs), [...] Read more.
Complex aluminum hydrides with high hydrogen capacity are among the most promising solid-state hydrogen storage materials. The present study determines the thermal stability, hydrogen dissociation energy, and electronic structures of alkali metal aluminum hydrides, MAlH4 (M = Li, Na, K, and Cs), using first-principles density functional theory calculations in an attempt to gain insight into the dehydrogenation mechanism of these hydrides. The results show that the hydrogen dissociation energy (Ed-H2) of MAlH4 (M = Li, Na, K, and Cs) correlates with the Pauling electronegativity of cation M (χP); that is, the Ed-H2 (average value) decreases, i.e., 1.211 eV (LiAlH4) < 1.281 eV (NaAlH4) < 1.291 eV (KAlH4) < 1.361 eV (CsAlH4), with the increasing χP value, i.e., 0.98 (Li) > 0.93 (Na) > 0.82 (K) > 0.79 (Cs). The main reason for this finding is that alkali alanate MAlH4 at higher cation electronegativity is thermally less stable and held by weaker Al-H covalent and H-H ionic interactions. Our work contributes to the design of alkali metal aluminum hydrides with a favorable dehydrogenation, which is useful for on-board hydrogen storage. Full article
(This article belongs to the Special Issue Advances in Carbon-Based Materials for Energy Storage)
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17 pages, 6181 KiB  
Article
Deep Eutectic Solvent (DES) for In Situ Templating Carbon Material: Carbon Characterization and Application in Supercapacitors Containing Multivalent Ions
by Nikola Zdolšek, Bojan Janković, Miloš Milović, Snežana Brković, Jugoslav Krstić, Ivana Perović and Milica Vujković
Batteries 2022, 8(12), 284; https://doi.org/10.3390/batteries8120284 - 13 Dec 2022
Viewed by 2805
Abstract
The development of carbon materials with desirable textures and new aqueous electrolytes is the key strategy to improve the performance of supercapacitors. Herein, a deep eutectic solvent (DES) was used for in situ templating of a carbon material. A carbon material was characterized [...] Read more.
The development of carbon materials with desirable textures and new aqueous electrolytes is the key strategy to improve the performance of supercapacitors. Herein, a deep eutectic solvent (DES) was used for in situ templating of a carbon material. A carbon material was characterized (XRD, N2-physisorption, FTIR, SEM and EDS) and used as an electrode material for the first time in multivalent-based supercapacitors. In situ templating of carbon was performed using a novel DES, which serves as a precursor for carbon and for in situ generation of MgO. The generation of MgO and its roles in templating of carbon were discussed. Templating of carbon with MgO lead to an increase in surface area and a microporous texture. The obtained carbon was tested in multivalent-ion (Al3+ and Mg2+) electrolytes and compared with H2SO4. The charge-storage mechanism was investigated and elaborated. The highest specific capacitance was obtained for the Al(NO3)3 electrolyte, while the operating voltage follows the order: Mg(NO3)2 > Al(NO3)3 > H2SO4. Electrical double-layer capacitance (versus pseudocapacitance) was dominant in all investigated electrolytes. The larger operating voltage in multivalent electrolytes is a consequence of the lower fraction of free water, which suppresses hydrogen evolution (when compared with H2SO4). The GCD was experimentally performed on the Al(NO3)3 electrolyte, which showed good cyclic stability, with an energy density of 22.3 Wh kg−1 at 65 W kg−1. Full article
(This article belongs to the Special Issue Advances in Carbon-Based Materials for Energy Storage)
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Review

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26 pages, 7286 KiB  
Review
Battery-Type Lithium-Ion Hybrid Capacitors: Current Status and Future Perspectives
by Zhang Guo, Zhien Liu, Wan Chen, Xianzhong Sun, Xiong Zhang, Kai Wang and Yanwei Ma
Batteries 2023, 9(2), 74; https://doi.org/10.3390/batteries9020074 - 21 Jan 2023
Cited by 8 | Viewed by 4989
Abstract
The lithium-ion battery (LIB) has become the most widely used electrochemical energy storage device due to the advantage of high energy density. However, because of the low rate of Faradaic process to transfer lithium ions (Li+), the LIB has the defects [...] Read more.
The lithium-ion battery (LIB) has become the most widely used electrochemical energy storage device due to the advantage of high energy density. However, because of the low rate of Faradaic process to transfer lithium ions (Li+), the LIB has the defects of poor power performance and cycle performance, which can be improved by adding capacitor material to the cathode, and the resulting hybrid device is also known as a lithium-ion battery capacitor (LIBC). This review introduces the typical structure and working principle of an LIBC, and it summarizes the recent research developments in advanced LIBCs. An overview of non-lithiated and pre-lithiated anode materials for LIBCs applications is given, and the commonly used pre-lithiation methods for the anodes of LIBCs are present. Capacitor materials added to the cathodes, and suitable separator materials of LIBCs are also reviewed. In addition, the polarization phenomenon, pulsed performance and safety issues of LIBCs and electrode engineering for improving electrochemical performance are systematically analyzed. Finally, the future research and development direction of advanced LIBCs is prospected through the discussion of the existing problems of an LIBC in which the battery material in the composite cathode is LiNixCoyMn1−x−yO2 (NCM). Full article
(This article belongs to the Special Issue Advances in Carbon-Based Materials for Energy Storage)
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