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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]
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Database: Engineering Source
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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]
ISSN:01694332
DOI:10.1016/j.apsusc.2025.164636