The strain induced tetragonal distortion of CoO6 octahedra in LCO owing to the change in Co–O–Co bond angle only (no change in bond-length) from 163∘ toward 180∘ leads to the stronger hybridization of the Co 3d and O 2p orbitals and hence results to the increased bandwidth and ...
(H 2 O) 2 ]Á- 2H 2 O} n ,theHo III atomiscoordinatedbythreeOatomsfrom three5-hydroxynicotinateligands,fourOatomsfromtwo oxalateligands,eachlyingonaninversioncenter,andone watermoleculeinadistortedsquare-antiprismaticgeometry. The5-hydroxynicotinateligandisprotonatedattheNatom anddeprotonatedatthe...
Other distance cannot be attributed to either Si–O or Ca–O bond, which have lengths of 1.60–1.65 Å and 2.45–2.54 Å [23,24]. The low-angle peaks may correspond not to distances between adjacent atoms, but to distance between adjacent “strands” of the glass network. Figure 2....
Representative high angle XRR measurements for the α-Fe2O3 layer and Au/α-Fe2O3 bilayer grown on STO(111) substrates are shown in Figure 4b. In the α-Fe2O3/STO(111) system, in addition to the diffraction peak corresponding to the STO(111) substrate, the presence of α-Fe2O3 ...
关键词: polyatomic molecules organic molecules molecules containing three or four carbon atoms carbon molecule structure molecular structure geometric parameters bond angle dihedral angle internuclear distances 出版时间: 2007/01/01 ISBN: 978-3-540-44739-9 ...
Solid-state NMR spectroscopy is a powerful and versatile tool for structural characterization of materials in either ordered or disordered states via the measurement of nuclear spin interactions22,23,24,25,26.17O magic-angle spinning (MAS) NMR has been utilized in recent years to probe the local ...
(DFT) calculations employing the hybrid B3PW exchange-correlation functional. In particular, the DFT calculations confirm theO2−center spinS= 1/2, its orientation along theaaxis. TheO2−center is characterized by a short O–O bond length of 1.34 Å and different atomic charges and ...
Borate-based glass has excellent properties among the common glass-forming agents due to its high bond strength, coordination geometry, and maximum phonon energy (~1400 cm−1). The transformation of the coordination environment of boron, in terms of the equilibrium of the structural changes ...
Experimental studies were carried out using high-resolution magic angle spinning (HRMAS) NMR investigations on calcium aluminosilicate glasses with the same molar compositions of the undoped glass models (corresponding to 20Ca and 30Ca, cf. Table 1). It was observed that the concentrations of 5-...
The hydrophilicity of nanoparticles was characterized by water contact angle (WCA) measurement, as presented in Figure 9. Before measuring the WCA, Al2O3 and SiO2 nano hydrosol must be deposited onto the silicon wafer using a simple sol–gel dip-coating process. Detailed experimental procedures ar...