Exploring the Hydrogen-Induced Amorphization and Hydrogen Storage Reversibility of Y(Sc)0.95Ni2 Laves Phase Compounds

Zhao, Shiqian; Wang, Hui; Liu, Jiangwen

doi:10.3390/ma14020276

Cited by 13 publications

(5 citation statements)

References 36 publications

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“…The main aim of this work was to study the influence of the hydrogen and aluminum concentrations on their binding energies in the Mg-Al-H solid solution and to reveal the role of aluminum atom addition on hydrogen adsorption and accumulation in the Mg-H solid solution. The data obtained will be useful for further research of hydrogen storage materials [ 32 , 33 , 34 ].…”

Section: Introductionmentioning

confidence: 99%

Theoretical and Experimental Research of Hydrogen Solid Solution in Mg and Mg-Al System

et al. 2022

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The study of hydrogen storage properties of Mg-based thin films is of interest due to their unique composition, interface, crystallinity, and high potential for use in hydrogen-storage systems. Alloying Mg with Al leads to the destabilization of the magnesium hydride reducing the heat of reaction, increases the nucleation rate, and decreases the dehydriding temperature. The purpose of our study is to reveal the role of the aluminum atom addition in hydrogen adsorption and accumulation in the Mg-H solid solution. Ab initio calculations of aluminum and hydrogen binding energies in magnesium were carried out in the framework of density functional theory. Hydrogen distribution and accumulation in Mg and Mg-10%Al thin films were experimentally studied by the method of glow-discharge optical emission spectroscopy and using a hydrogen analyzer, respectively. It was found that a hydrogen distribution gradient is observed in the Mg-10%Al coating, with more hydrogen on the surface and less in the bulk. Moreover, the hydrogen concentration in the Mg-10%Al is lower compared to Mg. This can be explained by the lower hydrogen binding energy in the magnesium-aluminum system compared with pure magnesium.

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Section: Introductionmentioning

confidence: 99%

Theoretical and Experimental Research of Hydrogen Solid Solution in Mg and Mg-Al System

et al. 2022

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“…Finally, we used ab initio molecular dynamics (MD) in the CASTEP simulation to simulate the hydrogen desorption behavior of the Sc-modified COF-1 surface. The parameters are set to a constant number of atoms, a constant volume, and constant temperatures of 300 and 400 K. We set the MD simulation time to 1.5 ps to have enough time to complete the calculation, which is consistent with the published reports. ,,− Figure a,b shows the molecular dynamics simulation results of the adsorption of 24 H 2 molecules by 6Sc-COF-1 at 300 and 400 K, respectively. It can be seen that the COF-1 structure does not undergo significant deformation and the six Sc atoms are still stably adsorbed on the COF-1 layer without aggregation at both 300 and 400 K. One of the four hydrogen molecules adsorbed by each Sc atom escapes at 300 K, and all of the adsorbed H 2 molecules are released when the temperature is 400 K. It is demonstrated that the adsorption and desorption of hydrogen molecules can be achieved within a narrow temperature range of 300–400 K and 6Sc-COF-1 has excellent reversibility as a hydrogen storage material.…”

Section: Resultsmentioning

confidence: 89%

First-Principles Study of Hydrogen Storage of Sc-Modified Semiconductor Covalent Organic Framework-1

et al. 2021

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At present, the development of new carbon-based nanoporous materials with semiconductor properties and high hydrogen storage capacity has become a research hotspot in the field of hydrogen storage and hydrogen supply. Here, we pioneered the study of the hydrogen storage capacity of a scandium (Sc) atom-modified semiconductor covalent organic framework-1 (COF-1) layer. It was found that the hydrogen storage capacity of the COF-1 structure was significantly enhanced after the modification of the Sc atom. We found that each Sc atom of the modified COF-1 structure can stably adsorb up to four H 2 molecules, and the average adsorption energy of the four hydrogen molecules is −0.284 eV/H 2 . Six Sc atoms are stably adsorbed most bilaterally on the cell of the COF-1 unit, which can adsorb 24 H 2 molecules in total. In addition, we have further studied the adsorption and desorption behaviors of H 2 molecules on the 6Sc-COF-1 surface at 300 and 400 K, respectively. It can be found that each Sc atom of the COF-1 unit cell can stably adsorb three H 2 molecules with a hydrogen storage performance of 5.23 wt % at 300 K, which is higher than those of lithium-modified phosphorene (4.4 wt %) and lithium-substituted BHNH sheets (3.16 wt %). At 400 K, all of the adsorbed H 2 molecules are released. This confirms the excellent reversibility of 6Sc-COF-1 in hydrogen storage performance. This research has great significance in the application of fuel cells, surpassing traditional hydrogen storage materials.

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“…Dodecenyl succinylated phthaloyl chitosan B. subtilis, S. aureus, E. coli [ 103] N, N, N-trimethyl chitosan-polylactide S. aureus [104] Chitosan-sulfonamide derivatives S. aureus, E. coli [ 105] N-succinyl chitosan E. coli and S. aureus [ 106] Carboxymethylated chitosan E. coli [ 107] Aldehyde chitosan E. coli [ 108] N-Aminorhodanine modified chitosan/copper ions Staph. strain [ 109] Carboxymethyl chitosan/ZnO nanocomposite S. aureus, E. coli [ 110] Hydroxypropyltrimethylammonium chloride CS…”

Section: Chitosan Derivatives Microbementioning

confidence: 99%

Chitosan‐Based Hydrogels for Infected Wound Treatment

Wang,

Song,

Johnson

et al. 2023

Macromolecular Bioscience

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Wound infections slow down the healing process and lead to complications such as septicemia, osteomyelitis, and even death. Although traditional methods relying on antibiotics are effective in controlling infection, they have led to the emergence of antibiotic‐resistant bacteria. Hydrogels with antimicrobial function become a viable option for reducing bacterial colonization and infection while also accelerating healing processes. Chitosan is extensively developed as antibacterial wound dressings due to its unique biochemical properties and inherent antibacterial activity. In this review, the recent research progress of chitosan‐based hydrogels for infected wound treatment, including the fabrication methods, antibacterial mechanisms, antibacterial performance, wound healing efficacy, etc., is summarized. A concise assessment of current limitations and future trends is presented.

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Exploring the Hydrogen-Induced Amorphization and Hydrogen Storage Reversibility of Y(Sc)0.95Ni2 Laves Phase Compounds

Cited by 13 publications

References 36 publications

Theoretical and Experimental Research of Hydrogen Solid Solution in Mg and Mg-Al System

Theoretical and Experimental Research of Hydrogen Solid Solution in Mg and Mg-Al System

First-Principles Study of Hydrogen Storage of Sc-Modified Semiconductor Covalent Organic Framework-1

Chitosan‐Based Hydrogels for Infected Wound Treatment

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