3D graphene for ultra-high methane and hydrogen storage

The exceptional potential of three-dimensional (3D) graphene materials for ultra-high methane and hydrogen storage is explored in this study, utilizing the grand canonical Monte Carlo (GCMC) molecular simulation method. The 3D boron nitride (BN) graphene materials, synthesized through the substituti...

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Main Author: Xuan Peng
Format: Article
Language:English
Published: Elsevier 2025-01-01
Series:Next Materials
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Online Access:http://www.sciencedirect.com/science/article/pii/S2949822824003368
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author Xuan Peng
author_facet Xuan Peng
author_sort Xuan Peng
collection DOAJ
description The exceptional potential of three-dimensional (3D) graphene materials for ultra-high methane and hydrogen storage is explored in this study, utilizing the grand canonical Monte Carlo (GCMC) molecular simulation method. The 3D boron nitride (BN) graphene materials, synthesized through the substitution of boron and nitrogen for carbon atoms, exhibit superior adsorption capacities. At 298 K, the weight adsorption capacities of two BN materials for methane reach up to 1.134 g/g and 0.82 g/g, respectively, at 30 MPa, significantly exceeding the DOE target of 0.5 g/g. For hydrogen, remarkably, at 77 K and pressures exceeding 1 MPa, the weight adsorption capacity surpasses 5.5 wt%, achieving an impressive 27 wt% at 30 MPa, nearly quintupling the DOE’s hydrogen storage target. Although the volumetric adsorption capacity is lower compared to Metal-Organic Frameworks (MOFs), the 3D graphene materials’ weight adsorption performance positions them as strong contenders for next-generation energy storage solutions. The GCMC simulations substantiate the significance of 3D graphene materials as highly promising adsorbents for efficient methane and hydrogen storage.
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spelling doaj-art-2197a0ebca834f8392d115e2d5215bbd2025-08-20T03:16:35ZengElsevierNext Materials2949-82282025-01-01610043810.1016/j.nxmate.2024.1004383D graphene for ultra-high methane and hydrogen storageXuan Peng0Nanoworld Discovery Studio, Apex 27523, United StatesThe exceptional potential of three-dimensional (3D) graphene materials for ultra-high methane and hydrogen storage is explored in this study, utilizing the grand canonical Monte Carlo (GCMC) molecular simulation method. The 3D boron nitride (BN) graphene materials, synthesized through the substitution of boron and nitrogen for carbon atoms, exhibit superior adsorption capacities. At 298 K, the weight adsorption capacities of two BN materials for methane reach up to 1.134 g/g and 0.82 g/g, respectively, at 30 MPa, significantly exceeding the DOE target of 0.5 g/g. For hydrogen, remarkably, at 77 K and pressures exceeding 1 MPa, the weight adsorption capacity surpasses 5.5 wt%, achieving an impressive 27 wt% at 30 MPa, nearly quintupling the DOE’s hydrogen storage target. Although the volumetric adsorption capacity is lower compared to Metal-Organic Frameworks (MOFs), the 3D graphene materials’ weight adsorption performance positions them as strong contenders for next-generation energy storage solutions. The GCMC simulations substantiate the significance of 3D graphene materials as highly promising adsorbents for efficient methane and hydrogen storage.http://www.sciencedirect.com/science/article/pii/S2949822824003368AdsorptionMolecular simulationMethaneHydrogen3D graphene
spellingShingle Xuan Peng
3D graphene for ultra-high methane and hydrogen storage
Next Materials
Adsorption
Molecular simulation
Methane
Hydrogen
3D graphene
title 3D graphene for ultra-high methane and hydrogen storage
title_full 3D graphene for ultra-high methane and hydrogen storage
title_fullStr 3D graphene for ultra-high methane and hydrogen storage
title_full_unstemmed 3D graphene for ultra-high methane and hydrogen storage
title_short 3D graphene for ultra-high methane and hydrogen storage
title_sort 3d graphene for ultra high methane and hydrogen storage
topic Adsorption
Molecular simulation
Methane
Hydrogen
3D graphene
url http://www.sciencedirect.com/science/article/pii/S2949822824003368
work_keys_str_mv AT xuanpeng 3dgrapheneforultrahighmethaneandhydrogenstorage