Charged defects in two-dimensional (2D) materials have emerging applications in quantum technologies such as quantum emitters and quantum computation. The advancement of these technologies requires a rational design of ideal defect centers, demanding reliable computation …
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Small Polaron Formation and Transport in Doped Hematite
A complete study of the effect of defects (including Oxygen vacancies, Nitrogen, Nitrogen+Oxygen Vacancy and Tin) on the electronic structure of Hematite (Fe2O3), including a further study on small polaron transport in pristine Hematite and …
Electrochemical study of Nitrogen and Iron-Codoped Carbon
In this combined experimental and theoretical work, electrochemical studies showed that the resulting Fe, N-codoped carbons exhibited enhanced electrocatalytic activity toward oxygen reduction in alkaline media as compared to the counterparts doped with nitrogen alone …