研究目的
Investigating the electronic, optical and plasmonic phenomena at non-stoichiometric grain boundaries in metallic SrNbO3 photocatalyst.
研究成果
Non-stoichiometric grain boundaries in metallic SrNbO3 photocatalyst show exotic electronic, optical and plasmonic phenomena compared to bulk. The Nb-rich grain boundary leads to an extended energy range and enhancement of light absorption and plasmon excitation, demonstrating the potential control of grain boundaries in the plasmonic properties of oxide photocatalysts.
研究不足
The theoretical plasmon energy is lower than the experimental value, which might be attributed to the use of DFT based on the random phase approximation for dielectric function calculations. Discrepancies might also be caused by extrinsic factors, such as Sr deficiency or oxygen non-stoichiometry.
1:Experimental Design and Method Selection:
Aberration-corrected scanning transmission electron microscopy (STEM) and first-principles calculations were employed to study the atomic structure, chemical composition, and electronic structure of non-stoichiometric grain boundaries in SrNbO
2:Sample Selection and Data Sources:
A SrNbO3 thin film with a thickness of ~250 nm was deposited on (100) oriented SrTiO3 substrate by pulsed laser deposition (PLD).
3:List of Experimental Equipment and Materials:
FEI Versa 3D machine for TEM specimen preparation, ARM200CF microscope for HAADF-STEM imaging and STEM-EELS experiments.
4:Experimental Procedures and Operational Workflow:
TEM specimens were prepared using focused ion beam milling followed by thinning with Ar ion milling. HAADF-STEM imaging and STEM-EELS experiments were carried out at 200 kV.
5:Data Analysis Methods:
DFT calculations were performed with the generalized gradient approximation (GGA) in the form of the Perdew–Burke–Ernzerhof (PBE) functional.
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