Search results for " structural disorder"
showing 2 items of 2 documents
Sturctural disorder and silanol groups content in amorphous SiO2
2009
We present a study on the features of the Urbach edge in amorphous silicon dioxide a-SiO2 . The effects of temperature on the absorption edge in the range from 4 to 300 K were studied in both materials having negligible dry, 1017 cm−3 and significant wet, 1019 cm−3 silanol groups contents. Remarkable differences in the values and in the temperature dependence of the Urbach energy in the dry and wet samples were observed. These differences are interpreted as a consequence of a drastic reduction in the degree of disorder in wet materials, which turn out to be characterized by an electronic structure more similar to that of crystalline quartz. Furthermore, our results indicate that silanol gro…
Modeling bismuth insertion in 1D hybrid lead halide TMSO(Pb x Bi y )I3 pseudo-perovskites
2022
Abstract The structures of the disordered 1D (pseudo-)perovskites of general TMSO(Pb x Bi y )I3 formulation [TMSO = (CH3)3SO+], obtained by doping the TMSOPbI3 species with Bi3+ ions, are investigated through the formulation of a statistical model of correlated disorder, which addresses the sequences of differently occupied BI6 face-sharing octahedra (B = Pb, Bi or vacant site) within ideally infinite [(BI3)−] n chains. The x-ray diffraction patterns simulated on the basis of the model are matched to the experimental traces, which show many broad peaks with awkward (nearly trapezoidal) shapes, under the assumption that the charge balance is fully accomplished within each chain. The analysis…