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Shiri et al. discovered that the band gap of silicon nanowire (SiNW) can be affected under uni-axial tensile strain.
However, a limitation in all thin film solar cell technologies is that absorbance of red spectrum is too small, because of the indirect band gap of silicon.
At the wavelength of 1,175 nm, no incident light is absorbed below the band gap of silicon materials, so the EQE is zero at this wavelength.
Comparing the band gap with different materials such as silicon dioxide (approximately 8.9 eV) and silicon nitride (approximately 4.3 eV), the band gap of silicon carbide (approximately 2.4 eV) is the lowest [5].
This work addresses the effects of hydrogen passivation on the electronic band gap of silicon carbide nanowires (SiCNWs) grown along the [1 1 0] direction by means of Density Functional Theory.
Si O bond formation, i.e. oxidation usually takes place automatically as soon as Si NWs are exposed to ambient conditions and this is undesired is since a defective oxide layer (i.e. native silicon dioxide – SiO2) can cause uncontrolled trap states in the band gap of silicon.
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In summary, the structure design of oxygen-passivated silicon nanonets could result in indirect direct band gap transitions of silicon.
Si O Si bond has more effective influence on the band edge region of the nanonets than –H or –OH bonds and is expected to change the band gap structure of silicon nanonets.
Figure 3 Band gap structure ofa 100D5B5W2P37H (VBM: X or G, CBM: G, Eg: 1.28 eV),b 100D5B5W2P37O (VBM: M, CBM: M, Eg: 0.59 eV) Figure 4 Band gap structure of silicon nanonets with the same parameters but different passivation conditionsa 110D3B4W2P13H (VBM: M or G, CBM: X, Eg: 0.96 eV),b 110D3B4W2P13OH (VBM: M, CBM: X, Eg: 0.98 eV),c 110D3B4W2P13O (VBM: G, CBM: G, Eg: 0.86 eV).
Such a purpose is confronted to the indirect band gap of bulk silicon which makes difficult the light emission from Si, and then presents a major obstacle to full photonic-electronic integration.
The energy band gap is seen to amount to approximately 3.5 eV that substantially exceeds the energy band gap of bulk silicon (~1.1 eV at room temperature).
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