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Substituted lithium transition-metal (TM) phosphate LiFexMn1-xPO4, materials with olivine-type structures are among the most promising next generation lithium ion battery cathodes. However, a complete atomic-level description of the structure of such phase ...
The substrate scope of the [2+2] cycloaddn.-cycloreversion (CA-CR) reaction between electron-deficient (2,2-dicyanovinyl)benzene (DCVB) or (1,2,2-tricyanovinyl)benzene (TCVB) derivs. and N,N-dimethylanilino (DMA)-substituted acetylenes was studied. The str ...
In this study, Al-5083 and St-12 alloy sheets were friction stir lap welded at different travel (7-23 cm min(-1)) and rotation (750-1125 rev min(-1)) speeds of the welding tool. The welded joints were characterised by various methods including shear tensil ...
We present high-field magnetization and Br-79 nuclear quadrupole resonance (NQR) and Te-125 nuclear magnetic resonance (NMR) studies in the weakly coupled Cu2+ (S = 1/2) tetrahedral system Cu2Te2O5Br2. The field-induced level crossing effects were observed ...
The Ge core-level shift across the Ge/GeO2 interface is determined within semilocal and hybrid density functional schemes. We first assess the accuracy achieved within these theoretical frameworks by comparing calculated and measured core-level shifts for ...
C-60 does not have "superaromatic'' or even aromatic character, but is a spherically pi antiaromatic and enormously strained species. This explains its very large and positive heat of formation (610 +/- 30 kcal mol(-1)). The pi electron character of C-60 w ...
Through hybrid density functional calculations, we compare the Ge-Ge bond energy with the formation energy of a valence alternation pair as the O concentration varies across the Ge/GeO2 interface. First, hole trapping energies are calculated for three atom ...
Phase equilibria in the Au-Ge-Ni ternary system were studied by means of scanning electron microscopy, electron probe microanalysis, X-ray diffraction, and differential scanning calorimetry. The phase relations in the solid state at 600 A degrees C as well ...
The solvation of Ba+ ions created by the photoionization of barium atoms located on the surface of helium nanodroplets has been investigated. The excitation spectra corresponding to the 6p 2P1/2
We investigate the structural response of charge and orbitally ordered (CO/OO) manganites to ultrafast optical excitation using optical reflectivity and x-ray diffraction as a probe. We study a La0.42Ca0.58MnO3 (LCMO) thin film and a La0.25Pr0.375Ca0.375Mn ...
