Due to the chemical stability and easy fabrication by atomic layer deposition (ALD), TiO2 nanotubes are regarded highly useful in constructing branched nanostructured electrodes for solar conversion and electrochemical energy storage devices. Here we present a facile and scalable fabrication of metal oxide nanobranches on ALD pre-formed TiO2 nanotubes. The metal oxide branches can be a wide ran...

Among the two-dimensional materials of post-graphene era, borophene has raised an enormous interest due to its unprecedented diversity structures and wide variety potential applications, including ability for hydrogen storage. In present paper we use van der Waals-corrected density functional theory in conjunction with a quantum-thermodynamic model investigate storage capacity confining Li-deco...

Numerical modeling of the failure mechanisms in Si thin film anode for Li-ion batteries", Master's Thesis, 2.2 The gravimetric capacity of the ballistically deposited silicon nanocrystals and the a-silicon nanofilm over 50 cycles, compared with the capacity of graphite

The B(6)Li(8) cluster is a symmetrical 3D complex whose high stability can be understood through the Wade rule and aromaticity. A new mechanism of B-Li chemical bonding is proposed. Importantly, B(6)Li(8) is predicted to be a promising candidate for hydrogen storage material with gravimetric density reaching up to a theoretical limit of 24%.

Safe and efficient hydrogen storage is a major obstacle for using hydrogen as an energy carrier. Therefore, intensive efforts have been focused on the development of new materials for chemical hydrogen storage. Of particular importance, hydrazine borane (N(2)H(4)BH(3)) is emerging as one of the most promising solid hydrogen carriers due to its high gravimetric hydrogen storage capacity (15.4 wt...

we estimated the rainfall interception loss (i), canopy storage capacity (s), the ratio of mean evaporation rate from the wet canopy () over the mean rainfall intensity () (mm h-1) (), and free throughfall coefficient (p) in a fraxinus rotundifolia mill. stand located in an afforested park land in a semiarid region of iran. for each storm event, i was calculated as the gross rainfall (gr) minus...

abstract having no exact knowledge of most appropriate harvesting time in kiwifruit grown in different regions of guilan province, as well as the low storage longevity of the fruits are the most important factors causing considerable reduction in both marketability and export affairs. in this study, the influence of fruit quality in term of harvesting time on the postharvest quality and food va...

Widespread adoption of hydrogen as a vehicular fuel depends critically upon the ability to store hydrogen on-board at high volumetric and gravimetric densities, as well as on the ability to extract/insert it at sufficiently rapid rates. As current storage methods based on physical means--high-pressure gas or (cryogenic) liquefaction--are unlikely to satisfy targets for performance and cost, a g...

We study polylithiated molecules as building blocks for hydrogen storage materials, using first-principles calculations. CLi4 and OLi2 bind 12 and 10 hydrogen molecules, respectively, with an average binding energy of 0.10 and 0.13 eV, leading to gravimetric densities of 37.8 and 40.3 weight % H. Bonding between Li and C or O is strongly polar and H2 molecules attach to the partially charged Li...

Based on density functional theory (DFT), first-principles molecular dynamics (MD), and the grand canonical ensemble Monte Carlo (GCMC) method, we investigated the boron substitution in aromatic rings of graphyne in terms of geometric and electronic structures as well as its bifunctional application including Li and H2 storage. The calculated binding energies of B-doped graphyne (BG) are signif...