The Li-ion battery has, from its commercialisation in the early 1990's, now become the most widely used power source for portable low-power electronics: laptops, cellular phones and MP3-players are a few examples. To further develop existing and find new electrode materials for these batteries, it is vital to understand the lithium insertion/extraction mechanisms taking place during battery operation. In this thesis, single-crystal X-ray diffraction has been used to investigate lithium insertion/extraction mechanisms in the cathode materials V6O13 and LiFePO4. A novel single-crystal electrochemical cell for in situ single-crystal X-ray diffraction studies has also been developed.The phases Li3V6O13 and Li3+xV6O13, 0

The structures of Li3V6O13 and Li(3+delta)V6O13, delta approximately 0.3, have been determined by single-crystal X-ray diffraction. Both compounds have the space group C2/m, with very similar cell parameters. In Li3V6O13, the Li atoms are found in the Wyckoff positions 4(i) and 2(b) with multiplicities of four and two, respectively. Since Li3V6O13 exhibits no superstructure reflections, it is concluded that Li3V6O13 contains one disordered lithium ion in an otherwise ordered centrosymmetric structure. On inserting more lithium into the structure, the Li(3+delta)V6O13 phase is formed with the homogeneity range 0 < delta < 1. It is concluded that the site for the extra inserted lithium ion is closely coupled to the position of the disordered lithium ion in Li3V6O13. A mechanism for this behaviour and for the further formation of the Li6V6O13 end-phase in the LixV6O13 system is proposed.

The Li-ion battery has, from its commercialisation in the early 1990's, now become the most widely used power source for portable low-power electronics: laptops, cellular phones and MP3-players are a few examples. To further develop existing and find new electrode materials for these batteries, it is vital to understand the lithium insertion/extraction mechanisms taking place during battery operation. In this thesis, single-crystal X-ray diffraction has been used to investigate lithium insertion/extraction mechanisms in the cathode materials V6O13 and LiFePO4. A novel single-crystal electrochemical cell for in situ single-crystal X-ray diffraction studies has also been developed.The phases Li3V6O13 and Li3+xV6O13, 0

The Li-ion battery has, from its commercialisation in the early 1990's, now become the most widely used power source for portable low-power electronics: laptops, cellular phones and MP3-players are a few examples. To further develop existing and find new electrode materials for these batteries, it is vital to understand the lithium insertion/extraction mechanisms taking place during battery operation. In this thesis, single-crystal X-ray diffraction has been used to investigate lithium insertion/extraction mechanisms in the cathode materials V6O13 and LiFePO4. A novel single-crystal electrochemical cell for in situ single-crystal X-ray diffraction studies has also been developed.The phases Li3V6O13 and Li3+xV6O13, 0

The Li-ion battery has, from its commercialisation in the early 1990's, now become the most widely used power source for portable low-power electronics: laptops, cellular phones and MP3-players are a few examples. To further develop existing and find new electrode materials for these batteries, it is vital to understand the lithium insertion/extraction mechanisms taking place during battery operation. In this thesis, single-crystal X-ray diffraction has been used to investigate lithium insertion/extraction mechanisms in the cathode materials V6O13 and LiFePO4. A novel single-crystal electrochemical cell for in situ single-crystal X-ray diffraction studies has also been developed.The phases Li3V6O13 and Li3+xV6O13, 0

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.

The synthesis of a novel ligand 2′-[1-(2-pyridinyl)-ethylidene]-oxamohydrazide (Hapsox), from a series of 2-acetylpyridine acylhydrazones, and its complex with Co(III), which is the first in this series of complexes are described. Both the ligand and the complex were characterized by elemental analysis, IR, 1H-NMR, and 13C-NMR spectra, and the structure of the complex [Co(apsox)2]ClO4 was determined by X-ray structural analysis. It was established that [Co(apsox)2]ClO4 has an octahedral geometry with two tridentate apsox ligands in monoanionic form. Structural characteristics, lengths of the bonds, and angles between the bonds were typical for Co(III) complexes of distorted octahedral geometry. Both direct and template synthesis afforded the same geometrical isomer of the complex with two apsox ligands meridionally bound to the central metal ion, even in the case when equimolar quantities of Co(ClO4)2 and Hapsox were applied.