Listar por tema "electronic structure"
Mostrando ítems 1-7 de 7
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A diagnosis approach for semiconductor properties evaluation from ab initio calculations: Ag-based materials investigation
Elsevier (2021-10-18)Ag-based semiconductors have been extensively employed as photocatalysts for several decades due to their excellent electronic properties, photochemical properties, and relatively low synthesis cost. In this work, the ... -
Direct in situ observation of the electron-driven synthesis of Ag filaments on a-Ag2WO4 crystals
Nature Publishing group (2013)In this letter, we report, for the first time, the real-time in situ nucleation and growth of Ag filaments on α-Ag2WO4 crystals driven by an accelerated electron beam from an electronic microscope under high vacuum. We ... -
Influence of Polytypism on the Electronic Structure of CdSe/CdS and CdSe/CdSe Core/Shell Nanocrystals
American Chemical Society (2017-03)We address theoretically differences and similarities on the electronic structure of CdSe/CdS dot-in-dot nanocrystals (NCs) with wurtzite/wurtzite (WZ/WZ), zinc-blende/zinc-blende (ZB/ZB) and polytype ZB/WZ crystalline ... -
Shell filling and paramagnetism in few-electron colloidal nanoplatelets
American Physical Society (2022-08-05)Colloidal semiconductor nanoplatelets are excellent optical emitters, which combine a quasi-2D structure with strong in-plane Coulomb interactions. Here, we go beyond the photoexcitation regime and investigate theoretically ... -
Structural and electronic analysis of the atomic scale nucleation of Ag on α-Ag2WO4 induced by electron irradiation
Nature Publishing Group (2014-06)In this work, we utilise a combination of theory, computation and experiments to understand the early events related to the nucleation of Ag filaments on α-Ag2WO4 crystals, which is driven by an accelerated electron beam ... -
Structural properties and self-activated photoluminescence emissions in hydroxyapatite with distinct particle shapes
Elsevier (2018-01)The understanding on defect-related photoluminescence (PL) properties of hydroxyapatite (HA) particles has a fundamental importance in the technological field for the development of new non-toxic biomedical and optical ... -
Understanding the White-Emitting CaMoO4 Co-Doped Eu3+, Tb3+, and Tm3+ Phosphor through Experiment and Computation
American Chemical Society (2019-07-09)In this article, the synthesis by means of the spray pyrolysis method, of the CaMoO4 and rare-earth cation (RE3+)-doped CaMoO4:xRE3+ (RE3+ = Eu3+, Tb3+, and Tm3+; and x = 1, 2, and 4% mol) compounds, is presented. The ...