Many failures of density functional approximations are attributed to the self-interaction error. A simplified one-electron self-interaction correction (SIC) scheme is proposed to expedite the SIC calculations. Applications show that for a wide ra...
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Oxygen‐Vacancy‐Driven Persistent Luminescence in Mn2+‐Doped MgGeO3: Insights from X‐Ray Absorption Fine Structure Spectroscopy
Von Wiley-VCH zur Verfügung gestellt
X-ray absorption fine structure (XAFS) spectroscopy data obtained using an in-house spectrometer (Lab-XAFS) are shown to be comparable to synchrotron measurements. Lab-XAFS is then used to investigate the role of oxygen vacancies surrounding Ge and the persistent luminescence of Mn2+-doped MgGeO3 under thermal annealing and codoping, providing insights into the structural mechanisms that govern luminescence behavior.
Mn2+-doped MgGeO3 (MMGO) is a near-infrared-emitting persistent luminescence (PersL) phosphor. Its low luminescence decay has been linked to vacancies within the MgGeO3 host, likely associated with Ge, although no direct correlations have been confirmed. In this study, the Ge K-edge X-ray absorption fine structure (XAFS) spectroscopy is employed to investigate a series of MMGO submicron-sized particles with varying afterglow durations. These samples are synthesized using a recently developed hydrothermal method, where it is found that the PersL duration is related to the annealing temperature and the presence of codopants. It is first demonstrated that the XAFS spectra obtained using an in-house XAFS spectrometer are comparable in quality to those acquired at synchrotron facilities. Analysis of the local Ge environment of the MMGO shows that the PersL duration is directly related to the Ge–O coordination number. Additionally, the introduction of Li+ extends the PersL duration of MMGO but does not alter the Ge–O coordination. The findings provide insights into the structural mechanisms driving luminescence and highlight the capability of in-house XAFS systems to deliver high-quality data for advanced materials research.
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