WebT1 - Formation, electronic structure, and defects of Ni substituted spinel cobalt oxide. T2 - A DFT+U study. AU - Shi, Xiao. AU - Bernasek, Steven L. AU - Selloni, Annabella. PY - 2016/7/14. Y1 - 2016/7/14. N2 - Nickel substituted spinel cobalt oxide is a promising technological material with complex electronic and magnetic structures. WebJul 8, 2008 · Vacancy‐Ordered Structure of Cubic Bismuth Oxide from Simulation and Crystallographic Analysis - Aidhy - 2008 - Journal of the American Ceramic Society - …
Highly efficient degradation of chlorophenol over bismuth oxides …
WebNov 27, 2024 · The surface oxygen vacancy formation energy (EOvac) is an important parameter in determining the catalytic activity of metal oxides. Estimating these energies can therefore lead to data-driven design of promising catalyst candidates. In the present study, we determine EOvac for various insulating and semiconducting oxides. Statistical … WebWe study the native defects in bismuth vanadate using hybrid density functional theory. We pay special attention to where excess charges localize by considering different … hanami in jujutsu kaisen
First-principles studies of defect behaviour in bismuth …
WebMar 25, 2024 · Skip to main content Skip to article ... Journals & Books WebSep 21, 2024 · Moreover, several DFT calculations 36,37,38 on Bi-containing oxides have been successfully carried out, including investigations involving defect without the employing spin-orbit coupling. WebDec 5, 2024 · However, the role of defects cluster acting on the photocatalytic performance remains in its infancy stage, and the utilization of large vacancy for CPs elimination is seldom studied, although various bismuth oxides (Bi 4 O 7, Bi 2 O 4) could degrade phenol and p-chlorophenol efficiently under visible light irradiation [[31], [32], [33]]. hanami menu cresskill