Computational screening of zeolite templated carbons for hydrogen storage

Deniz, Celal Utku

doi:10.1016/j.commatsci.2021.110950

Cited by 18 publications

(5 citation statements)

References 68 publications

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“…18 Langmi et al synthesized different possible forms of geometry and pores, namely A, X, Y, and RHO type zeolites, and reported H 2 storage capacities of 1.79 wt%, 1.81 wt%, and 1.74 wt% at 77 K and 15 bar for NaX, NaY, and MgY, respectively, 30 which are relatively low compared to other storage materials. However, with computational simulations, high capacity zeolite templated carbon materials have been reported 31,32 whose experimental verications are needed.…”

Section: Porous Materials Hydrogen Storagementioning

confidence: 99%

Highly efficient hydrogen storage of a Sc decorated biphenylene monolayer near ambient temperature: ab initio simulations

Singh

Shukla

Chakraborty

2023

Sustainable Energy Fuels

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Section: Porous Materials Hydrogen Storagementioning

confidence: 99%

Highly efficient hydrogen storage of a Sc decorated biphenylene monolayer near ambient temperature: ab initio simulations

Singh

Shukla

Chakraborty

2023

Sustainable Energy Fuels

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“…The gas storage ability of CBNs is known to be poor if their pores are smaller than 5 Å (Mert et al, 2020). Notably, the selected ZTC structures all have pore sizes that fall within the range of what is considered an appropriate pore size for adsorbents (Deniz, 2022), with the smallest pore size being around 2 Å and the largest being around 8 Å.…”

Section: Resultsmentioning

confidence: 99%

“…Recent work by Braun et al (2018) provided an analytical groundwork for obtaining a ZTC starting from a zeolite, outlined the basics of forming ZTCs, and discovered 68 ZTCs. As previously indicated, even though ZTCs have a very high potential for use as an adsorbent in gas storage applications (Deniz, 2022), there has been no research on how effectively these structures separate methane and hydrogen gas mixture.…”

Section: Introductionmentioning

confidence: 99%

A Computational Study of the Adsorptive Separation of Methane and Hydrogen in Zeolite Templated Carbons

Deniz

2022

Gazi University Journal of Science Part A: Engineering and Innovation

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Combustion of conventional energy sources produces pollutants such as SOx, NOx, and CO; the use of hydrogen and methane can eliminate these harmful emissions. In fuel cell technology and other uses, hydrogen must be refined by extracting methane from the methane/hydrogen combination, produced via dry or steam reforming. This study investigates the adsorption and separation capabilities of recently discovered zeolite-templated carbons (ZTCs) for binary mixtures consisting of hydrogen and methane. To assess the adsorption and separation performances of these carbon-based nanostructures, grand canonical Monte Carlo (GCMC) simulations were used. The simulation results revealed that AFY (|(C6H15N)3(H2O)7|[Co3Al5P8O32]) and RWY (|(C6H18N4)16| [Ga32Ge16S96]) structures could be viable alternatives for applications involving adsorptive gas separation based on selectivity and the CH4 uptake capacity. The selectivity of AFY was calculated to be 176, while its capacity to uptake CH4 was found to be 2.57 mmol/g, the selectivity of RWY was calculated to be 132, and its CH4 uptake was 3.49 mmol/g.

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“…Ion-exchanged silica materials were the subjects of much research previously. [75][76][77] This research discovered a significant relation between hydrogen uptake and surface area rather than pore size and volume. This correlation has been found to apply much more broadly to a variety of supports, such as MOFs and carbon.…”

Section: Silicamentioning

confidence: 99%

Potential Applications of Metal‐Doped Nanomaterials for Enhancing Solid‐State Hydrogen Storage

Abdulkadir,

Teh,

Rahman Khan

et al. 2024

ChemistrySelect

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Hydrogen energy is the primary replacement for fossil fuels in the future because of its advantages in terms of efficiency, cost‐effectiveness, and environmental friendliness. The fundamental issue with hydrogen, however, arises from its exceedingly low volumetric density; thus, developing efficient storage methods is critical to achieving a sustainable hydrogen economy. Hydrogen storage has demonstrated tremendous potential as a possible alternative for effective large‐scale storage. Due to their low cost, and high volumetric and gravimetric capacities, metal hydride‐based storage is considered the most prospective solid‐state storage material. Their low storage capacity nevertheless restricts their application effectively. Hence, the need to enhance the storage capacity by doping active metals becomes an interesting study area. With considerable success, metals, particularly transition metals, have been used to modify hydrides to improve their storage capacities. Owing to their strong and superior performance, active metals have demonstrated tremendous potential in increasing the performance of storage materials. This review critically examined recent developments in enhancing hydrogen storage characteristics through the incorporation of active metals. The preparation techniques for metal infiltration through different techniques, such as impregnation, ball/mechanical milling, and reflux were reported. The review describes significant advances in hydrogen storage characteristics due to metal doping and offers perspective recommendations for future research.

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Computational screening of zeolite templated carbons for hydrogen storage

Cited by 18 publications

References 68 publications

Highly efficient hydrogen storage of a Sc decorated biphenylene monolayer near ambient temperature: ab initio simulations

Highly efficient hydrogen storage of a Sc decorated biphenylene monolayer near ambient temperature: ab initio simulations

A Computational Study of the Adsorptive Separation of Methane and Hydrogen in Zeolite Templated Carbons

Potential Applications of Metal‐Doped Nanomaterials for Enhancing Solid‐State Hydrogen Storage

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