Theoretical study about alkali metal adsorption on pristine and defective (8,0) SWCNT: Geometrical, magnetic and electronic changes

Gaztañaga, Francisco; Sandoval, Mario G.; Luna, Carla Romina; Jasen, Paula Verónica

doi:10.1016/j.apsusc.2020.145769

Cited by 14 publications

(2 citation statements)

References 36 publications

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“…Researchers are continually exploring various classes of materials, such as metal hydrides, carbonbased materials (e.g., carbon nanotubes, graphene), complex hydrides, and porous materials (e.g., metalorganic frameworks), to meet these criteria and advance the field of hydrogen storage materials [3] with vacancies and dopants [28][29][30] can create void spaces that serve as favorable sites for hydrogen adsorption.…”

Section: Characteristics Of Hydrogen Storage Materialsmentioning

confidence: 99%

A comprehensive bibliometric review and analysis on the evolution of nanotube-based hydrogen storage materials via DFT simulations

Villagracia

2024

IOP Conf. Ser.: Earth Environ. Sci.

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Hydrogen’s promise as a clean energy carrier is tempered by the challenges of efficient storage and safety concerns. While it offers an alternative to finite fossil fuel resources, current hydrogen storage methods, like cryo-compression and liquefaction, are often economically impractical. To tackle these issues, researchers are turning to nanotube materials (NTMs), crystalline substances with unique attributes ideal for hydrogen storage. Structural adaptability - NTMs can be precisely engineered for optimized hydrogen adsorption. These materials boast significant porosity, providing ample room for hydrogen molecules. NTMs offer a large surface area, enhancing their hydrogen adsorption capacity. NTMs employ weak van der Waals forces for hydrogen adsorption, enabling easy release via heat or pressure. Efforts are underway to enhance NTMs’ surface area and hydrogen uptake capabilities, along with a focus on mechanisms like the hydrogen spill-over for achieving high-density storage. NTMs go beyond storage; they can act as proton exchange membranes and fuel cell electrodes, making them versatile components in hydrogen-based energy systems. One strategy for improving NTM hydrogen storage involves introducing dopants or defects. Transition metals, due to their ability to attract and store hydrogen molecules in NTMs, are commonly explored. However, this addition may reduce the material’s gravimetric density, a critical practical consideration. In summary, research into NTMs and their potential for hydrogen storage via density functional theory is ongoing. This work explores strategies to enhance hydrogen storage, especially through transition metal doped NTMs. While these metals can improve hydrogen adsorption, the trade- offs in gravimetric density must be carefully weighed. Overall, this research contributes to the broader goal of harnessing hydrogen’s potential as a clean energy carrier, addressing the world’s growing energy needs.

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Section: Characteristics Of Hydrogen Storage Materialsmentioning

confidence: 99%

A comprehensive bibliometric review and analysis on the evolution of nanotube-based hydrogen storage materials via DFT simulations

Villagracia

2024

IOP Conf. Ser.: Earth Environ. Sci.

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“…However, according to the current study, combining the adsorptive capabilities of date pits with metal hexacyanoferrates could further provide a more efficient and cost-friendly approach in decreasing date pit waste, as well as recovering valuable metals such as lithium from RO brine. Nowadays, lithium is used in a variety of fields like lithium-ion batteries, greases, polymers, ceramics, and metal additives 21 . Due to the high demands on lithium-containing products, their extraction from hard rock ores or brine is becoming more expensive.…”

Section: Introductionmentioning

confidence: 99%

Novel composite materials of modified roasted date pits using ferrocyanides for the recovery of lithium ions from seawater reverse osmosis brine

Al-Absi

Abu-Dieyeh

Ben‐Hamadou

et al. 2021

Sci Rep

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In this paper, novel composite materials from modified roasted date pits using ferrocyanides were developed and investigated for the recovery of lithium ions (Li+) from seawater reverse osmosis (RO) brine. Two composite materials were prepared from roasted date pits (RDP) as supporting material, namely potassium copper hexacyanoferrate-date pits composite (RDP-FC-Cu), and potassium nickel hexacyanoferrate-date pits composite (RDP-FC-Ni). The physiochemical characterization of the RO brine revealed that it contained a variety of metals and salts such as strontium, zinc, lithium, and sodium chlorides. RDP-FC-Cu and RDP-FC-Ni exhibited enhanced chemical and physical characteristics than RDP. The optimum pH, which attained the highest adsorption removal (%) for all adsorbents, was at pH 6. In addition, the highest adsorption capacities for the adsorbents were observed at the initial lithium concentration of 100 mg/L. The BET surface area analysis confirmed the increase in the total surface area of the prepared composites from 2.518 m2/g for RDP to 4.758 m2/g for RDP-FC-Cu and 5.262 m2/g for RDP-FC-Ni. A strong sharp infrared peak appeared for the RDP-FC-Cu and RDP-FC-Ni at 2078 cm−1. This peak corresponds to the C≡N bond, which indicates the presence of potassium hexacyanoferrate, K4[Fe(CN)6]. The adsorption removal of lithium at a variety of pH ranges was the highest for RDP-FC-Cu followed by RDP-FC-Ni and RDP. The continuous increase in the adsorption capacity for lithium with increasing initial lithium concentrations was also observed. This could be mainly attributed to enhance and increased lithium mass transfer onto the available adsorption active sites on the adsorbents’ surface. The differences in the adsorption in terms of percent adsorption removal were clear and significant between the three adsorbents (P value < 0.05). All adsorbents in the study showed a high lithium desorption percentage as high as 99%. Both composites achieved full recoveries of lithium from the RO brine sample despite the presence of various other competing ions.

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A theoretical approach on adsorption and detection of Ni and Co ions by applying the B3S monolayer

Morocho,

Abdulkareem,

Jawad

et al. 2024

Struct Chem

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Theoretical study about alkali metal adsorption on pristine and defective (8,0) SWCNT: Geometrical, magnetic and electronic changes

Cited by 14 publications

References 36 publications

A comprehensive bibliometric review and analysis on the evolution of nanotube-based hydrogen storage materials via DFT simulations

A comprehensive bibliometric review and analysis on the evolution of nanotube-based hydrogen storage materials via DFT simulations

Novel composite materials of modified roasted date pits using ferrocyanides for the recovery of lithium ions from seawater reverse osmosis brine

A theoretical approach on adsorption and detection of Ni and Co ions by applying the B3S monolayer

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