Publications by authors named "J E Castellanos-Aguila"
Article Synopsis
- A recent study links carbon clusters in hexagonal boron nitride (h-BN) to single photon emitters (SPEs), suggesting potential new applications in photonics.
- Using density functional theory, researchers examined carbon atom clusters in h-BN, finding that carbon trimers can exhibit properties consistent with photoluminescence spectra.
- The study concluded that while certain carbon cluster arrangements mimic experimental results, vacancies in the material do not show the same phonon sideband features due to low-energy breathing modes.
Cuprous oxide has been conceived as a potential alternative to traditional organic hole-transport layers in hybrid halide perovskite-based solar cells. Device simulations predict record efficiencies using this semiconductor, but experimental results do not yet show this trend. More detailed knowledge about the CuO/perovskite interface is mandatory to improve the photoconversion efficiency.
View Article and Find Full Text PDFThe valence and conduction band offsets for both polar and nonpolar CuGaS/CuAlSe and CuGaS/ZnSe interfaces were studied here by the state-of-the-art first-principles calculations. Using the hybrid functional calculations, we show that the CuGaS/CuAlSe and CuGaS/ZnSe heterostructures in all interfaces form type II band alignment. The difference of valence and conduction band offsets is mainly due to lattice mismatch, generating stress in the interface and affecting the electronic properties of each material; meanwhile, the polarity configuration does not play an important role in these values.
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