Characterization of single-handed twisted lithium tantalate tubular nanoribbons with optical activity

et al. 2019

ACS Omega

Li3TaO4 with a high melting point, good thermal stability, and higher lithium content has become a possible choice for breeder materials, which have potential applications in future fusion reactors. Perfect and defect crystal models of Li3TaO4 are set up, and all of the tritium-diffusion pathways have been studied by the first-principles method. The activation energy barriers of different diffusion pathways are calculated and analyzed considering the pathway length and tritium–oxygen interactions. The obtained minimum energy barrier for tritium diffusing in the perfect Li3TaO4 crystal is only 0.34 eV. The minimum energy barrier is less than 0.72 eV when tritium diffuses in the defect Li3TaO4 crystal in the presence of a lithium vacancy. Finally, the diffusion coefficients of tritium in the Li3TaO4 crystal are calculated, which further confirm that it is easy for tritium to escape from the trap of the lithium vacancy and diffuse in the crystal. Such a tritium-diffusion behavior is in favor of the tritium-release process of the Li3TaO4 crystal and could provide theoretical guidance for the future applications of Li3TaO4 materials.

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

First-Principles Study of Tritium Diffusion in the Li₃TaO₄ Crystal

et al. 2019

ACS Omega

“…For examples, helical LiTaO 3 and BaTiO 3 nanotubes were prepared using helical Ta 2 O 5 and TiO 2 nanotubes, respectively. [33,34] Recently, helical carbonaceous nanotubes were prepared via the carbonization of organopolymeric nanotubes, [7][8][9] organic-inorganic hybrid silica nanotubes, [21][22][23][24][25] or organic compounds within silica nanotubes. [26] The handedness of the carbonaceous nanotubes was consistent with that of their starting materials.…”

Section: Introductionmentioning

confidence: 99%

Single‐Handed Helical Carbonaceous Nanotubes: Preparation, Optical Activity, and Applications

2017

The Chemical Record

Self Cite

Carbon-based nanomaterials have been widely studied in the past decade. Three approaches have been developed for the preparation of single-handed helical carbonaceous nanotubes. The first approach uses the carbonization of organopolymeric nanotubes, where the organic polymers are polypyrrole, 3-aminophenol-formaldehyde resin, and m-diaminobenzeneformaldehyde resin. The second approach uses the carbonization of aromatic ring-bridged polybissilsesquioxane followed by the removal of silica. Micropores exist within the walls of the carbonaceous nanotubes. The third approach uses the carbonization of organic compounds within silica nanotubes. This hard-templating approach drives the formation of helical carbonaceous nanotubes containing twisted carbonaceous nanoribbons. All of these helical carbonaceous nanotubes exhibit optical activity, which is believed to originate from the chiral p-p stacking of aromatic rings. They can be used as chirality inducers, and for lithium-ion storage.

Helical Mesoporous Tantalum Oxide Nanotubes: Formation, Optical Activity, and Applications

2017

The Chemical Record

Self Cite

Nanomaterials with helical morphologies have attracted much attention owing to their potential applications as nanosprings, chirality sensors and in chiral optics. Single-handed helical Ta O nanotubes prepared through a supramolecular templating approach are described. The handedness is controlled by that of the organic self-assemblies of chiral low-molecular-weight gelators (LMWGs). The chiral LMWGs self-assemble into single-handed twisted nanoribbons through H-bonding, hydrophobic association, and π-π stacking. The Ta O nanotubes are formed by the adsorption and polycondensation of Ta O oligomers on the surfaces and edges of the twisted organic nanoribbons followed by removal of the template. The optical activity of the nanotubes is proposed to originate from the chiral defects on the inner surfaces of the tubular structures. Single-handed twisted LiTaO nanotubes can also be prepared using Ta O nanotubes.