Effects of hydrogen/halogen –edge termination on structural, electronic, and optical properties of planar silicene nanoribbons SiNRs

Djabri, I.; Kadri, M. T.; Belkhir, H.; Bououdina, M.

doi:10.1016/j.physe.2021.115046

Cited by 6 publications

(8 citation statements)

References 77 publications

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“…The photosensitivities are calculated as 5.36 and 15.09, respectively, for the devices, which show that compound 4 is much more photosensitive than compound 3 . The imbibing metallic character of iodine has been assigned due to the larger size and low ionization energy among the discussed halogens . Therefore, after absorbing light, the ligand containing iodine intensified the mobility of the charge carrier and enhanced conductivity.…”

Section: Resultsmentioning

confidence: 99%

“…The results showed that the compound 1 - and 2 -based devices did not show any response to light; however, the compound 3 - and 4 -based devices showed photosensitivity. During the light irradiation, ligands containing bromine and iodine of larger size and lower ionization energy absorb light and energize the charge carriers, ensuing enhanced conductivity . The I–V characteristic curves of complex 3 - and 4 -based devices are presented in Figure .…”

Section: Resultsmentioning

confidence: 99%

“…During the light irradiation, ligands containing bromine and iodine of larger size and lower ionization energy absorb light and energize the charge carriers, ensuing enhanced conductivity. 55 The I−V characteristic curves of complex 3-and 4-based devices are presented in Figure 8. The derived conductivities and rectification ratios are presented in Table 2.…”

Section: Syntheses Ofmentioning

confidence: 99%

“…The imbibing metallic character of iodine has been assigned due to the larger size and low ionization energy among the discussed halogens. 55 Therefore, after absorbing light, the ligand containing iodine intensified the mobility of the charge carrier and enhanced conductivity.…”

Section: Syntheses Ofmentioning

confidence: 99%

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Cu(II)-Based Molecular Hexagons Forming Honeycomb-like Networks Exhibit High Electrical Conductivity

et al. 2022

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Four new Cu(II)-based hexagonal complexes with the metallomacrocycle formulae [Cu6(5-nip)6(3-py)6(H2O)12] (1), [Cu6(5-nip)6(3-Clpy)6(H2O)12] (2), [Cu6(5-nip)6(3-Brpy)6(H2O)12] (3), and [Cu6(5-nip)6(3-Ipy)6(H2O)12] (4) have been synthesized using 5-nitroisophthalic acid (H25-nip) and pyridine (py)/3-halopyridine (3-Xpy; X = Cl, Br, and I) ligands. The structural features and supramolecular interactions of compounds 1–4 have been investigated using the single-crystal X-ray diffraction (SCXRD) technique. Interestingly, the hexagonal complexes undergo hydrogen bonding and π···π stacking interactions to form fascinating two-dimensional (2D) honeycomb-like structures. The synthesized complexes exhibit high electrical conductivity, arising from charge transport through space via π···π contacts. However, complexes containing 3-Brpy (3) and 3-Ipy (4) exhibit photosensitivity due to the presence of halogens with a larger size and lower ionization energy. The conductivity results are also in accordance with the theoretical prediction calculated by density functional theory (DFT) study.

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Section: Resultsmentioning

confidence: 99%

Section: Resultsmentioning

confidence: 99%

Section: Syntheses Ofmentioning

confidence: 99%

Section: Syntheses Ofmentioning

confidence: 99%

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Cu(II)-Based Molecular Hexagons Forming Honeycomb-like Networks Exhibit High Electrical Conductivity

et al. 2022

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“…Especially for structures with widths of 3, 4, 13, 16 atoms, the band gap width decreases rapidly to 0. The optical properties of SiNRs are also thoroughly studied [29][30][31][32][33][34][35][36]. Studies on the optical properties of armchair SiNRs have shown that all studied configurations are semiconductors with a direct band gap suitable for infrared optical applications [32].…”

Section: Introductionmentioning

confidence: 99%

Electrical and optical properties of C, Ge-doped armchair silicene nanoribbons applied in optoelectronics

Ngoc

Thuy

2023

J. Phys.: Condens. Matter

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With the continuous development of nanotechnology, the search for new material structures plays a crucial role. Silicene nanoribbons are one-dimensional materials that hold promise for numerous potential applications in the future. The electric and optical properties of C, Ge-doped armchair silicene nanoribbons are investigated in this study using Density Functional Theory (DFT). All the doped configurations are stable and maintain the honeycomb hexagonal structure after optimization. Doping with C yields flatter structures, while doping with Ge yields larger buckling heights. The C 1-1 doping configuration is highlighted because its band gap is extended up to 2.35 eV, making it an ideal candidate for potential optoelectronic applications. The charge distribution, charge density difference, and hybridization of multiple orbitals are also systematically studied. The optical properties reveal the differences between C and Ge doping, with a clear anisotropy observed. Strong absorption occurs at high electromagnetic wave energies,, while the absorption coefficient rapidly decreases in the long-wavelength range. The study of electron-hole density shows good agreement with the energy band structure, where electron-hole pairs only exist when the excitation energy is greater than the bandgap width, and not all excitation energy values give rise to electron-hole pairs. This study contributes a small part to creating potential applications in nanotechnology.

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Electronic band structures and spin-charge densities of edge-functionalized silicene nanoribbons as promising candidates for either optoelectronics or spintronics applications

Said,

Barhoumi,

Lazaar

et al. 2023

Journal of Magnetism and Magnetic Materials

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Effects of hydrogen/halogen –edge termination on structural, electronic, and optical properties of planar silicene nanoribbons SiNRs

Cited by 6 publications

References 77 publications

Cu(II)-Based Molecular Hexagons Forming Honeycomb-like Networks Exhibit High Electrical Conductivity

Cu(II)-Based Molecular Hexagons Forming Honeycomb-like Networks Exhibit High Electrical Conductivity

Electrical and optical properties of C, Ge-doped armchair silicene nanoribbons applied in optoelectronics

Electronic band structures and spin-charge densities of edge-functionalized silicene nanoribbons as promising candidates for either optoelectronics or spintronics applications

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