Phys Chem Chem Phys
October 2022
Spinel LiMnO (LMO) is a well-known cathode material for lithium-ion batteries. In order to elucidate the molecular mechanism of the solid electrolyte interface (SEI) formation and the effect of an additive, vinylene carbonate (VC), we systematically studied the spontaneous and electrochemical reactions of solvents and a salt (LiPF) in electrolytes with LMO in the absence and presence of VC. X-ray photoelectron spectroscopy (XPS) results of the LMO surfaces after soaking in the electrolyte solutions showed that the carbonate solvents as well as VC spontaneously decomposed on the LMO surfaces to form new compounds, such as alcohols, ethers, and carboxylates.
View Article and Find Full Text PDFCrossover from an itinerant state to an isolated electronic state in electron-doped polycyclic aromatic hydrocarbon (PAH) was studied for the two smallest zigzag-type molecules of naphthalene (NN) and anthracene (AN) by focusing on their 1 : 1 stoichiometry, A(NN) and A(AN), with alkali metals (A = K and Rb). The competition between on-site Coulombic repulsion energy (U) and bandwidth (W) was argued in terms of their magnetic and electrical properties upon lattice expansion, when A varies from K, with a smaller ionic radius, to Rb, with a larger ionic radius. The temperature-dependence of magnetic susceptibility shows a pronounced hump associated with antiferromagnetic (AFM) interactions for Rb(NN), being similar to those of K(NN) and K(AN) in the earlier report.
View Article and Find Full Text PDFHigh quality bulk samples of anthracene (AN) doped with potassium (K) in 1 : 1 and 2 : 1 stoichiometries were successfully prepared by a method involving a room temperature solid-state mechanical diffusion process prior to intercalation reactions during heat treatment, and their physical properties were studied using both magnetic and optical measurements. The transfer of almost one electron from K to AN in K1(AN) was confirmed by SQUID and ESR measurements. A pronounced magnetic hump centered at 150 K associated with antiferromagnetic interactions was observed, which can most likely be interpreted in terms of on-site Coulomb repulsions of the Mott insulating states.
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