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Hydrogen-enriched water for mild graphite functionalization to enhance Li+ storage.

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Title: Hydrogen-enriched water for mild graphite functionalization to enhance Li+ storage.
Authors: Kim, Geonwoo1 (AUTHOR), Yang, Seunga1 (AUTHOR), Lee, Sangyup1 (AUTHOR), Nogales, Paul Maldonado1 (AUTHOR), Jeong, Soon-Ki1,2,3 (AUTHOR) hamin611@sch.ac.kr
Source: Applied Surface Science. Jan2026, Vol. 716, pN.PAG-N.PAG. 1p.
Subjects: Graphite, Energy storage, Density functional theory, Oxidation, Electrochemical analysis
Abstract: [Display omitted] • Hydrogen-enriched water (HW) treatment induces controlled interlayer expansion and defect formation in graphite. • Surface oxidation via HW introduces oxygen functionalities that enhance Li+ interfacial kinetics. • HW-treated graphite delivers a reversible capacity of 383 mAh g−1, surpassing the theoretical limit. • DFT calculations reveal reduced Li+ diffusion barriers and strengthened adsorption on functionalized surfaces. Although graphite remains the dominant negative electrode material for lithium-ion batteries, its theoretical capacity (372 mAh g−1) limits its applicability in high-energy systems. Herein, we introduce a mild and previously unexplored method for the surface functionalization of graphite using hydrogen-enriched water (HW). HW treatment induced interlayer expansion, defect formation, and partial amorphization while preserving the graphitic framework, as confirmed by X-ray diffraction, Raman spectroscopy, and electron microscopy. Nitrogen sorption analysis revealed the development of hierarchical porosity, which facilitated Li+ diffusion. Electrochemical measurements showed consistent discharge-capacity increases, which reached 383 mAh g−1, along with an improved rate capability and reduced interfacial resistance. Density functional theory calculations suggested that HW-derived H 2 and OH− functionalities modulated the charge distribution, lowered the Li+ diffusion barriers, and enhanced the Li+ adsorption. These findings highlighted the benefit of HW-assisted surface engineering as a simple, sustainable, and scalable strategy for enhancing the Li+ storage performance of graphite-based negative electrodes. [ABSTRACT FROM AUTHOR]
Copyright of Applied Surface Science is the property of Elsevier B.V. and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.)
Database: Engineering Source
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DbLabel: Engineering Source
An: 189232606
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  Data: Hydrogen-enriched water for mild graphite functionalization to enhance Li+ storage.
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  Data: <searchLink fieldCode="AR" term="%22Kim%2C+Geonwoo%22">Kim, Geonwoo</searchLink><relatesTo>1</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Yang%2C+Seunga%22">Yang, Seunga</searchLink><relatesTo>1</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Lee%2C+Sangyup%22">Lee, Sangyup</searchLink><relatesTo>1</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Nogales%2C+Paul+Maldonado%22">Nogales, Paul Maldonado</searchLink><relatesTo>1</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Jeong%2C+Soon-Ki%22">Jeong, Soon-Ki</searchLink><relatesTo>1,2,3</relatesTo> (AUTHOR)<i> hamin611@sch.ac.kr</i>
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  Data: <searchLink fieldCode="JN" term="%22Applied+Surface+Science%22">Applied Surface Science</searchLink>. Jan2026, Vol. 716, pN.PAG-N.PAG. 1p.
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  Data: <searchLink fieldCode="DE" term="%22Graphite%22">Graphite</searchLink><br /><searchLink fieldCode="DE" term="%22Energy+storage%22">Energy storage</searchLink><br /><searchLink fieldCode="DE" term="%22Density+functional+theory%22">Density functional theory</searchLink><br /><searchLink fieldCode="DE" term="%22Oxidation%22">Oxidation</searchLink><br /><searchLink fieldCode="DE" term="%22Electrochemical+analysis%22">Electrochemical analysis</searchLink>
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  Label: Abstract
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  Data: [Display omitted] • Hydrogen-enriched water (HW) treatment induces controlled interlayer expansion and defect formation in graphite. • Surface oxidation via HW introduces oxygen functionalities that enhance Li+ interfacial kinetics. • HW-treated graphite delivers a reversible capacity of 383 mAh g−1, surpassing the theoretical limit. • DFT calculations reveal reduced Li+ diffusion barriers and strengthened adsorption on functionalized surfaces. Although graphite remains the dominant negative electrode material for lithium-ion batteries, its theoretical capacity (372 mAh g−1) limits its applicability in high-energy systems. Herein, we introduce a mild and previously unexplored method for the surface functionalization of graphite using hydrogen-enriched water (HW). HW treatment induced interlayer expansion, defect formation, and partial amorphization while preserving the graphitic framework, as confirmed by X-ray diffraction, Raman spectroscopy, and electron microscopy. Nitrogen sorption analysis revealed the development of hierarchical porosity, which facilitated Li+ diffusion. Electrochemical measurements showed consistent discharge-capacity increases, which reached 383 mAh g−1, along with an improved rate capability and reduced interfacial resistance. Density functional theory calculations suggested that HW-derived H 2 and OH− functionalities modulated the charge distribution, lowered the Li+ diffusion barriers, and enhanced the Li+ adsorption. These findings highlighted the benefit of HW-assisted surface engineering as a simple, sustainable, and scalable strategy for enhancing the Li+ storage performance of graphite-based negative electrodes. [ABSTRACT FROM AUTHOR]
– Name: AbstractSuppliedCopyright
  Label:
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  Data: <i>Copyright of Applied Surface Science is the property of Elsevier B.V. and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract.</i> (Copyright applies to all Abstracts.)
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        Value: 10.1016/j.apsusc.2025.164636
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      – Code: eng
        Text: English
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        Type: general
      – SubjectFull: Energy storage
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      – SubjectFull: Density functional theory
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      – SubjectFull: Oxidation
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      – SubjectFull: Electrochemical analysis
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              M: 01
              Text: Jan2026
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              Y: 2026
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