Electronic structure of Li-inserted V6O13 battery cathodes: Rigid band behavior and effects of hybridization

Abstract

Resonant soft x-ray emission ͑SXE͒ spectroscopy was used to study the electronic structure of Li x V 6 O 13 battery cathodes. We observe that the V 3d-bands of V 6 O 13 exhibit a rather rigid behavior. Upon lithiation, electrons enter the top of the valence band and add intensity to the corresponding part of the V L-emission spectrum without significantly distorting the lower lying bands. We perform ab initio calculations which are in good agreement with the experimental results. Moreover, we find that lithiation leads to an overall decrease of the V 3d-O 2p hybridization. In contrast to x-ray diffraction, it is possible to study charge transfer effects in Li-batteries with SXE spectroscopy over the entire lithiation range.

Synthesis of vanadium oxide, V6O13 hollow-flowers materials and their application in electrochemical supercapacitors

“…This is primarily due to their high theoretical energy densities and excellent rechargeability [50][51][52][53]. To the best of our knowledge, the current studies of V 6 O 13 have been focusing on 0-D particles [54], 1-D belt-like [55] and 2-D films [56], which were fabricated by thermal decomposition, hydrothermal and plasma enhanced chemical vapor deposition (PECVD) or thermal evaporation, respectively.…”

Quantitative calculations of charge-carrier densities in the depletion layers atYBa2Cu3O7−δinterfaces

“…Cl-Pd hybridization is tiny for atoms in the first Pd layer, according to an ionic bonding. 27,28 However, there are remarkable admixtures of the nearestneighbor Pd atom ͑see Fig. 2͒ in the Cl-dominated DOS range, which we attribute to enhanced bonding because of a very short distance.…”

Site-Selective Mott Transition in a Quasi-One-Dimensional VanadateV6O13

“…The underlying physics remains a funda mental issue for strongly correlated systems and practical applications to the Mott transistor [13], A Wadsley phase V60 13 is another quasi-ID system [14][15][16][17][18] in which the microscopic mechanism of the MIT has been debated for half a century. It has been also extensively studied as a potential cathode in a Li-ion battery [19][20][21]. There are two frustrated zigzag chains including three vanadium sites, V (l)-V(l) and V(2)-V(3) chains along the b axis, as shown in Fig.…”