Summary
This materials chemistry study synthesised (Gd,Ce)2O2S hexagonal nanoparticles and achieved fine-tuned band gap engineering solely through adjustment of the cation ratio, reducing band gap from 4.7 eV (pure Gd2O2S) to 2.1 eV (Gd0.6Ce1.4O2S). A notable finding was that the lamellar morphology of nanoparticles transforms the indirect band gap characteristic of bulk lanthanide oxysulfides into a direct band gap, a property validated through density functional theory. The work proposes a multiregime mechanism for band gap control and suggests this class of compounds holds promise for visible-light photocatalytic applications.
UK applicability
This is a fundamental materials science study with no direct application to UK farming, soil health, or nutrient density. It may have distant relevance to photocatalytic materials for environmental remediation or energy applications, but falls outside Vitagri's core remit.
Key measures
Band gap energy (eV); crystal structure (X-ray diffraction); optical properties (colour, absorption); lattice parameters; direct vs. indirect band gap character (density functional theory on slabs)
Outcomes reported
The study demonstrates controlled modulation of band gap energy in (Gd,Ce)2O2S nanoparticles across a wide range (4.7–2.1 eV) by varying the gadolinium-to-cerium ratio, whilst preserving hexagonal crystal structure. Density functional theory and experimental characterisation revealed that lamellar nanoparticle geometry converts the indirect band gap of bulk materials into a direct band gap.
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