Gas adsorption properties of graphene-based materials

Szczęśniak, Barbara; Choma, J.; Jaroniec, Mietek

doi:10.1016/j.cis.2017.03.007

Cited by 120 publications

(67 citation statements)

References 148 publications

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“…However, due to the weak enthalpic interaction between graphene and H 2 molecules, use of graphene as an adsorbent requires cryogenic temperatures that, as discussed above, increase the cost and complexity of the fueling system. 232 Over the last few decades, synthetic research has led to development of new graphene-inspired building blocks and several new carbonbased H 2 adsorbents designed to enhance binding enthalpies, such as graphene oxide, graphene origami, and others. [233][234][235] For example, various oxygenated functional moieties, including carboxyl and hydroxyl groups, can be introduced to graphene to form graphene oxide (Fig.…”

Section: Graphene and Graphene Oxide Materialsmentioning

confidence: 99%

An assessment of strategies for the development of solid-state adsorbents for vehicular hydrogen storage

Allendorf

Hulvey

Gennett

et al. 2018

Energy Environ. Sci.

217

187

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Nanoporous adsorbents are a diverse category of solid-state materials that hold considerable promise for vehicular hydrogen storage. Although impressive storage capacities have been demonstrated for several materials, particularly at cryogenic temperatures, materials meeting all of the targets established by the U.S. Department of Energy have yet to be identified. In this Perspective, we provide an overview of the major known and proposed strategies for hydrogen adsorbents, with the aim of guiding ongoing research as well as future new storage concepts. The discussion of each strategy includes current relevant literature, strengths and weaknesses, and outstanding challenges that preclude implementation. We consider in particular metal-organic frameworks (MOFs), including surface area/volume tailoring, open metal sites, and the binding of multiple H 2 molecules to a single metal site. Two related classes of porous framework materials, covalent organic frameworks (COFs) and porous aromatic frameworks (PAFs), are also discussed, as are graphene and graphene oxide and doped porous carbons. We additionally introduce criteria for evaluating the merits of a particular materials design strategy. Computation has become an important tool in the discovery of new storage materials, and a brief introduction to the benefits and limitations of computational predictions of H 2 physisorption is therefore presented. Finally, considerations for the synthesis and characterization of hydrogen storage adsorbents are discussed. IntroductionStorage of hydrogen with sufficient gravimetric and volumetric capacity for vehicular use remains a significant obstacle to the widespread adoption of hydrogen fuel cell electric vehicles (FCEVs). Several FCEV models are now commercially available in limited locations around the world, and in these vehicles hydrogen is stored as a gas at room temperature with a fill Table 1 along with the current performance of 700 bar systems. These values pertain to the entire storage system, which includes the mass and volume of hydrogen in addition to the tank and associated balance-ofplant (BOP) components. Notably, it is physically impossible to meet the 2025 and ultimate volumetric capacity target with pressurized gas, as the density of H 2 gas at 700 bar and room temperature is just 40 g L À1 without accounting for the BOP.The search for solid-state H 2 storage materials that can supplant compressed gas systems has been ongoing for at least two decades. The development of a viable storage material Broader contextThe widespread use of hydrogen as a clean, sustainable energy carrier has the potential to provide several significant benefits, including a reduction in oil dependency and emissions, improved energy security and grid resiliency, and substantial economic opportunities across many sectors. Hydrogen-fueled vehicles are already appearing internationally, and one of the critical enabling technologies for increasing their availability is on-board hydrogen storage. Stakeholders in developing a hydrogen in...

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Section: Graphene and Graphene Oxide Materialsmentioning

confidence: 99%

An assessment of strategies for the development of solid-state adsorbents for vehicular hydrogen storage

Allendorf

Hulvey

Gennett

et al. 2018

Energy Environ. Sci.

217

187

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“…Furthermore, hydrogen fuel is environmentally friendly because the only product of its combustion is pure water . According to recent studies, one of the biggest challenges of utilizing hydrogen fuel is its storage . Recently, composites based on MOFs and graphene‐based materials have been prepared, and their improved hydrogen adsorption indicates the potential for application in fields associated with energy and the environment…”

Section: Gas Separation and Storagementioning

confidence: 99%

Metal‐Organic Frameworks/Graphene‐Based Materials: Preparations and Applications

Zheng

Xue

et al. 2018

Adv Funct Materials

246

107

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Metal-organic frameworks (MOFs), a new class of crystalline porous materials, can be applied in many fields as adsorbents, supercapacitors, catalysts, and so on because of, among others, their superior properties of large surface area, tunable pore size, diverse structures. However, the low stability and selectivity of traditional MOFs indicate that they are not the best configuration for the applications outlined above. In this case, a type of composite made from an assembly of graphene-based materials and MOFs that exhibits the advantages of the parent materials has attracted widespread attention in recent years. This review provides an overview of the recent developments of MOF/graphene-based materials, focusing on their applications in gas separation/storage, water purification, chemical sensors, batteries, supercapacitors, and catalysts, as well as their preparation methods.The ORCID identification number(s) for the author(s) of this article can be found under https://doi.org/10.1002/adfm.201804950. traditional method, they can be excellent alternatives of single MOFs to overcome the above-mentioned difficulties. [34][35][36][37][38] Graphene-based materials have recently introduced new possible applications because of their unique structure and low toxicity, as well as their excellent electronic, thermal, electrochemical, and mechanical properties. [39] More recently, many reports have confirmed that the introduction of graphene-based materials into other materials can lead to surprising improvements in electronic conductivity and stability. [38,40] Under these circumstances, it is reasonable to consider whether composites made from the assembly of graphene-based materials and MOFs possess extraordinary characteristics given that the parent materials have complementary properties. [40][41][42] Naturally, the idea of hybridizing graphene derivatives with MOFs materialized and soon attracted widespread attention. [43][44][45] According to recent research, composites of MOF/graphene-based materials can integrate the advantages and mitigate the shortcomings of the individual components perfectly, enabling the composites to possess improved stability, enhanced electrical conductivity, high selectivity, and template effects. [34,[46][47][48][49] With the combination of MOF and graphene-based materials, the unexpected interactions take place and bring unique performance in many applications. Thanks to the ionic groups and the aromatic sp 2 domains, graphene-based materials can not only function as structural nodes, but also participate in bonding interactions, which would be more active in MOFs. What's more, carboxylate and pyridine groups of graphene-based materials play important part in the assemble, which could enhance the coordination bonding and guide the growth of MOF, providing a more beneficial structure. These special interactions are unique in MOF/graphenebased materials, which indicates that this kind of materials deserve more attention. As concluded in Scheme 1, the addition of graphene-based material...

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“…Graphene and derived materials have shown great promise in the adsorption of small gases, among which N 2 , through van der Waals interactions [16,17]. These interactions, because relatively weak, are not easy to determine from an experimental setup and, therefore, the theoretical calculations that can reproduce them play an important role in the determination of the structure and energies of the adsorbed molecules.…”

Section: Introductionmentioning

confidence: 99%

Nitrogen Gas on Graphene: Pairwise Interaction Potentials

Vekeman

Faginas-Lago

Cuesta

et al. 2018

Computational Science and Its Applications – ICCSA 2018

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Abstract.We investigate different types of potential parameters for the graphene-nitrogen interaction. Interaction energies calculated at DFT level are fitted with the semi-emperical Improved Lennard-Jones potential. Both a pseudo-atom potential and a full atomistic potential are considered. Furthermore, we consider the influence of the electrostatic part on the parameters using different charge schemes found in the literature as well as optimizing the charges ourselves. We have obtained parameters for both the nitrogen dimer and the graphene-nitrogen system. For the former, the four-charges Cracknell scheme reproduces with high precision the CCSD(T) interaction energy as well as the experimental diffusion coefficient in both the pseudo-atom and full atomstic potential. In the second case, the atom-atom model provides an average interaction energy of 2.3 kcal/mol, comparable with the experimental graphene-N2 interaction of 2.4 kcal/mol.

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Gas adsorption properties of graphene-based materials

Cited by 120 publications

References 148 publications

An assessment of strategies for the development of solid-state adsorbents for vehicular hydrogen storage

An assessment of strategies for the development of solid-state adsorbents for vehicular hydrogen storage

Metal‐Organic Frameworks/Graphene‐Based Materials: Preparations and Applications

Nitrogen Gas on Graphene: Pairwise Interaction Potentials

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