Small‐Molecule Polycyclic Aromatic Hydrocarbons as Exceptional Long‐Cycle‐Life Li‐Ion Battery Anode Materials

The growing demand for cost‐effective and sustainable energy‐storage solutions has spurred interest in novel anode materials for lithium‐ion batteries (LIBs). In this study, the potential of small‐molecule polycyclic aromatic hydrocarbons (SMPAHs) as promising candidates for LIB anodes is explored....

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Main Authors: Avi Arya, Sih‐Ling Hsu, Chi‐You Liu, Meng‐Yuan Chang, Jeng‐Kuei Chang, Elise Yu‐Tzu Li, Yu‐Sheng Su
Format: Article
Language:English
Published: Wiley-VCH 2024-12-01
Series:Small Structures
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Online Access:https://doi.org/10.1002/sstr.202400273
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author Avi Arya
Sih‐Ling Hsu
Chi‐You Liu
Meng‐Yuan Chang
Jeng‐Kuei Chang
Elise Yu‐Tzu Li
Yu‐Sheng Su
author_facet Avi Arya
Sih‐Ling Hsu
Chi‐You Liu
Meng‐Yuan Chang
Jeng‐Kuei Chang
Elise Yu‐Tzu Li
Yu‐Sheng Su
author_sort Avi Arya
collection DOAJ
description The growing demand for cost‐effective and sustainable energy‐storage solutions has spurred interest in novel anode materials for lithium‐ion batteries (LIBs). In this study, the potential of small‐molecule polycyclic aromatic hydrocarbons (SMPAHs) as promising candidates for LIB anodes is explored. Through a comprehensive experimental approach involving electrode fabrication, material characterization, and electrochemical testing, the electrochemical performance of SMPAHs, including naphthalene, biphenyl, 9,9‐dimethylfluorene, phenanthrene, p‐terphenyl, and pyrene (Py), is thoroughly investigated. In the results, the impressive cycle stability, high specific capacity, and excellent rate capability of the SMPAH electrode are revealed. Additionally, a direct contact prelithiation strategy is implemented to enhance the initial Coulombic efficiency (ICE) of SMPAH anodes, yielding significant improvements in the ICE and cycle stability. Computational simulations provide valuable insights into the electrochemical behavior and lithium‐storage mechanisms of SMPAHs, confirming their potential as effective anode materials. The simulations reveal favorable lithium adsorption sites, the predominant storage mechanisms, and the dissolution mechanism of Py through computational calculations. Overall, in this study, the promise of SMPAHs is highlighted as sustainable anode materials for LIBs, advancing energy‐storage technologies toward a greener future.
format Article
id doaj-art-f15f1ca53ddc4e2ea587c090050fc117
institution Kabale University
issn 2688-4062
language English
publishDate 2024-12-01
publisher Wiley-VCH
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series Small Structures
spelling doaj-art-f15f1ca53ddc4e2ea587c090050fc1172024-12-05T19:18:13ZengWiley-VCHSmall Structures2688-40622024-12-01512n/an/a10.1002/sstr.202400273Small‐Molecule Polycyclic Aromatic Hydrocarbons as Exceptional Long‐Cycle‐Life Li‐Ion Battery Anode MaterialsAvi Arya0Sih‐Ling Hsu1Chi‐You Liu2Meng‐Yuan Chang3Jeng‐Kuei Chang4Elise Yu‐Tzu Li5Yu‐Sheng Su6International College of Semiconductor Technology National Yang Ming Chiao Tung University 1001 Daxue Road Hsinchu 300093 TaiwanDepartment of Chemistry National Taiwan Normal University No. 88, Section 4, Tingzhou Road Taipei 11677 TaiwanDepartment of Chemistry National Taiwan Normal University No. 88, Section 4, Tingzhou Road Taipei 11677 TaiwanDepartment of Materials Science and Engineering National Yang Ming Chiao Tung University 1001 Daxue Road Hsinchu 300093 TaiwanDepartment of Materials Science and Engineering National Yang Ming Chiao Tung University 1001 Daxue Road Hsinchu 300093 TaiwanDepartment of Chemistry National Taiwan Normal University No. 88, Section 4, Tingzhou Road Taipei 11677 TaiwanInternational College of Semiconductor Technology National Yang Ming Chiao Tung University 1001 Daxue Road Hsinchu 300093 TaiwanThe growing demand for cost‐effective and sustainable energy‐storage solutions has spurred interest in novel anode materials for lithium‐ion batteries (LIBs). In this study, the potential of small‐molecule polycyclic aromatic hydrocarbons (SMPAHs) as promising candidates for LIB anodes is explored. Through a comprehensive experimental approach involving electrode fabrication, material characterization, and electrochemical testing, the electrochemical performance of SMPAHs, including naphthalene, biphenyl, 9,9‐dimethylfluorene, phenanthrene, p‐terphenyl, and pyrene (Py), is thoroughly investigated. In the results, the impressive cycle stability, high specific capacity, and excellent rate capability of the SMPAH electrode are revealed. Additionally, a direct contact prelithiation strategy is implemented to enhance the initial Coulombic efficiency (ICE) of SMPAH anodes, yielding significant improvements in the ICE and cycle stability. Computational simulations provide valuable insights into the electrochemical behavior and lithium‐storage mechanisms of SMPAHs, confirming their potential as effective anode materials. The simulations reveal favorable lithium adsorption sites, the predominant storage mechanisms, and the dissolution mechanism of Py through computational calculations. Overall, in this study, the promise of SMPAHs is highlighted as sustainable anode materials for LIBs, advancing energy‐storage technologies toward a greener future.https://doi.org/10.1002/sstr.202400273adsorption energiesarenesdissolutionselectrostatic potentialsorganic anodesprelithiations
spellingShingle Avi Arya
Sih‐Ling Hsu
Chi‐You Liu
Meng‐Yuan Chang
Jeng‐Kuei Chang
Elise Yu‐Tzu Li
Yu‐Sheng Su
Small‐Molecule Polycyclic Aromatic Hydrocarbons as Exceptional Long‐Cycle‐Life Li‐Ion Battery Anode Materials
Small Structures
adsorption energies
arenes
dissolutions
electrostatic potentials
organic anodes
prelithiations
title Small‐Molecule Polycyclic Aromatic Hydrocarbons as Exceptional Long‐Cycle‐Life Li‐Ion Battery Anode Materials
title_full Small‐Molecule Polycyclic Aromatic Hydrocarbons as Exceptional Long‐Cycle‐Life Li‐Ion Battery Anode Materials
title_fullStr Small‐Molecule Polycyclic Aromatic Hydrocarbons as Exceptional Long‐Cycle‐Life Li‐Ion Battery Anode Materials
title_full_unstemmed Small‐Molecule Polycyclic Aromatic Hydrocarbons as Exceptional Long‐Cycle‐Life Li‐Ion Battery Anode Materials
title_short Small‐Molecule Polycyclic Aromatic Hydrocarbons as Exceptional Long‐Cycle‐Life Li‐Ion Battery Anode Materials
title_sort small molecule polycyclic aromatic hydrocarbons as exceptional long cycle life li ion battery anode materials
topic adsorption energies
arenes
dissolutions
electrostatic potentials
organic anodes
prelithiations
url https://doi.org/10.1002/sstr.202400273
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