The interesting properties of Mobius structure and boron-carbon-nitride (BCN) inspired this research to study different characteristics of Mobius BCN (MBCN) nanoribbon. The structural stability and vibrational, electrical and optical properties are analysed using the density functional theory. The gas-sensing ability of the modelled MBCN structure was also studied for methane, hydrogen sulfide, ammonia, phosgene and methanol gases. The negative adsorption energy and alteration of electronic bandgap verified that MBCN is very sensitive toward the selected gases. The complex structures showed a high absorption coefficient with strong chemical potential and 7 ps–0.3 ms recovery time. The negative change in entropy signifies that all the complex structures were thermodynamically stable. Among the selected gases, the MBCN showed the strongest interaction with methanol gas.
The interesting characteristics of Mobius structure inspired this research to study the effect of Boron-Nitride incorporation on Mobius Carbon (M-CX; X=48, 44, 24, 12, 4, and 0) nanoribbon. The structural stability, vibrational, electronic, and optical properties of M-CX nanoribbons have been studied via density functional theory. The negative formation energy and real vibrational frequency verified the structural stability and natural existence of the M-CX. All the structures showed a high absorption coefficient over 104 cm-1 and a semiconductor to insulator transition with decreasing Carbon concentration in the M-CX structure. The M-C48 structure has the maximum reactivity whereas the M-C0 structure is chemically more stable. The observed optical and electronic studies suggest the structures are potential materials for optoelectronic research.
This research demonstrates the fast synthesis of CH3NH3PbBr3 perovskite powder via antisolvent addition and further thin-film synthesis by one-step spin coating. The structural and optical properties are investigated via X-ray diffraction, Fourier-transform infrared spectroscopy, and UV–Vis spectroscopy. Crystallite sizes are compared by three different size estimation techniques, which range between 95.8 nm and 105 nm. The perovskite showed a higher absorption coefficient over 104 cm−1 and a refractive index from 3.4 to 2.3 in the visible spectrum. The bandgap was estimated via three district methods, which revealed a very slightly varied bandgap in the range of 2.29 eV–2.32 eV.
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