Crystalline structure and lithium-ion channel formation in self-assembled di-lithium pythalocynine: theory and experiments

Article Abstract:

Ab-initio and molecular dynamics calculations show the viability of using a large array of molecules to form a lithium ion conducting channel via molecular self-assembly. Based on the molecular dynamics calculations the elongation of the Li-Li intramolecular distances illustrates collective effects provided by the self-assembled structure and their importance for facilitating fast ionic transport within the channel.

Molecular dynamics

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Enhanced lithium absorption in single-walled carbon nanotubes by boron doping

Article Abstract:

According to the first principles calculation results, the lithium absorption energies in the B-doped single-walled carbon nanotube(SWCNT) were large negative values, compared to the pure SWCNT, whether Li was absorbed at inner sites or at outer sites of the tube walls. The result suggested that enhanced Li absorption capacity in the B-doped SWCNT should be expected.

Primary Battery Manufacturing, Primary batteries, dry and wet, Lithium Dry Cell Batteries, Analysis, Carbon, Chemistry, Physical and theoretical, Physical chemistry, Lithium cells, Lithium batteries, Nanotubes

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Preparation and electrochemical characterization of anatase nanorods for lithium-inserting electrode material

Article Abstract:

The preparation of titanate nanorods with diameters of ca. 3-5 nm and lengths of 40-60 nm through the hydrothermal treatment of a hydrolystate obtained from TiCl4 with caustic soda is described. The electrochemical insertion of lithium into the anatase TiO2 nanorods thus obtained was investigated by cyclic voltammetry and a galvanostatic method.

Nanotechnology, Titanates

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