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Item type:Publication, Ultrahigh hydrogen storage using metal-decorated defected biphenylene(2023-08-30) ;Kaewmaraya, T. ;Thatsami, N. ;Tangpakonsab, P. ;Kinkla, R.Kotmool, K.Hydrogen (H<inf>2</inf>) energy has emerged as a principal contender for renewable green energy applications because of the ultra-high energy density and natural abundance. The implementation of this prospective technology necessitates the ultra-high capacity of H<inf>2</inf> storage mediums. This work reports the exceptional H<inf>2</inf> storage capacities of two-dimensional (2D) carbon allotrope biphenylene (BPL) functionalized by Li, Na, K, and Ca. The combined theoretical approaches including the density functional theory (DFT), ab-initio molecular dynamics (AIMD), maximally localized Wannier functions (MLWFs), and thermodynamic analysis were employed to elucidate the storage efficiencies at operationally practical conditions. The findings reveal that pristine BPL decorated by the selected metals are all inefficient for H<inf>2</inf> storage because of the sensitive crystal instability caused by the energetic aggregation of the metallic dopants. On the other hand, point-defected BPL resolves this issue because it adequately magnifies the binding energies with all the decorated metals via the highly ionic bonds. Crucially, these binding energies exceed the cohesive counterparts of the parental metal bulks, consequently stabilizing the crystal integrity. Intriguingly, the Li- and Na-decorated divacancy BPL retain the ultimate H<inf>2</inf> storage capacities of 6.76 wt% and 6.66 wt% at the practical temperature and pressure, respectively, surpassing the goal value of 5.50 wt% to be achieved by 2025. Hence, metal-functionalized BPL are conclusively the promising carbon materials for the H<inf>2</inf> storage functionality. - Some of the metrics are blocked by yourconsent settings
Item type:Publication, Influence of processing parameters on the hydrogen storage properties of dip coated lithium alanate thin films(2021-05-19) ;Choawarot, Choosak ;Siriwongrungson, Vilailuck ;Hongrapipat, Janjira ;Pang, ShushengMessner, MichaelThe complex metal hydride materials have been researched and reported as an effective hydrogen storage material with the gravimetric hydrogen storage capacity of around 5-7 wt%. In this paper, the 20 mg/cm3 of lithium alanate solution prepared at 4 degree C and 25 degree C were dip coated on glass substrate. The post-annealing time was varied at 0 s, 1800 s and 3600 s. Phase and grain size were investigated using the X-ray powder diffraction. The hydrogen storage capacity and hydrogen desorption temperature were analyzed using thermogravimetric analysis. The lithium aluminium hydroxide hydrate and lithium hexahydroaluminate were observed on the deposited lithium alanate thin films when using the lithium alanate solution prepared at 4 degree C while only the lithium hexahydroaluminate was detected on the deposited lithium alanate thin films when the lithium alanate solution was prepared at 25 degree C. It was observed that the deposited lithium alanate thin films with lithium aluminium hydroxide hydrate have lower hydrogen storage capacity than the lithium alanate thin films without lithium aluminium hydroxide hydrate even the lithium alanate thin films with lithium aluminium hydroxide hydrate have smaller grain size. The hydrogen storage capacity and hydrogen desorption temperature of the deposited lithium alanate thin films were improved with longer annealing time.
