English (United Kingdom)

https://curated-unify.zendy.io/wp-json/zendy-region/v1/featured_content/oa?rat=en

https://curated-unify.zendy.io/wp-json/zendy-region/v1/highlighted_journal/

Global: Zendy Plus annual

Presents the access of premium content as premium feature

Premium Content

Presents the keyphrase highlighting as premium feature

Keyphrase Highlighting

Presents the summarisation as premium feature

Summarisation

Insights

Presents the pdf analysis as premium feature

PDF Analysis

Presents the zaia usage as premium feature

ZAIA

Global: Zendy Plus monthly

Global: Zendy Tools annual

Global: Zendy Tools monthly

Global: Zendy Free Plan

The present work puts forward a concept that the thermostable O1s XPS peakswith energy of about 531 eV in negative charge-transfer SrFeO_{3-\delta}perovskite are determined by the peroxo-like oxygen species. The peroxo groupforms via coupling two oxygen anions coordinated to iron cations withd^5\bar-under{L} (\bar-under{L}-oxygen electron hole) configuration. By meansof plane-wave DFT+U approach there have been shown that the peroxo grouprepresents a metastable state in the absence of oxygen vacancies nearby. TheO-O bonding confines two electron holes freezing the 3+ oxidation state for twoiron cations bridged by peroxide. Increasing the peroxo group numbers makes theferrite a semiconductor with charge-transfer gap of about 0.6 eV.

Confinement of electron holes via the peroxo group formation in the  negative charge-transfer materials on the example of SrFeO3: plane-wave  density functional theory predictions