Optical and electronic properties of hybrid organic-inorganic perovskite type [NH3-(CH2)3-COOH]2HgCl4
The hybrid organic-inorganic perovskite type [NH3-(CH2)3-COOH]2HgCl4 was synthesized at room temperature using the slow evaporation method. X-ray Diffraction powder (XRD), Fourier Transform Infrared Spectroscopy (FT-IR), and UV-visible spectroscopy were used to characterize the phase purity, the fun...
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EDP Sciences
2025-01-01
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| Series: | E3S Web of Conferences |
| Online Access: | https://www.e3s-conferences.org/articles/e3sconf/pdf/2025/01/e3sconf_icegc2024_00038.pdf |
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| author | Ouaaka El Mustafa Khechoubi El Mostafa |
| author_facet | Ouaaka El Mustafa Khechoubi El Mostafa |
| author_sort | Ouaaka El Mustafa |
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| description | The hybrid organic-inorganic perovskite type [NH3-(CH2)3-COOH]2HgCl4 was synthesized at room temperature using the slow evaporation method. X-ray Diffraction powder (XRD), Fourier Transform Infrared Spectroscopy (FT-IR), and UV-visible spectroscopy were used to characterize the phase purity, the functional groups, and the optical properties, respectively. [NH3-(CH2)3-COOH]2HgCl4 crystallizes in C2/c space group with cell parameters a=29.2762 (2) Å, b=11.0408 (1) Å, c=11.3944 (1) Å, β=112.532 (2) Å and Z=8.The atomic arrangement shows an alternation of organic and inorganic entities. The cohesion of the bulk crystal is realized via N-H.…Cl and O-H…O hydrogen bonding. The reflectance (R %) was recorded and applied to deduce the optical band gap. The optical results show that this hybrid material undergoes a direct optical transition and presents an energy gap value of about 2.75 eV. The electronic properties total and partial densities of states (TDOS, PDOS), and band structure are calculated using density functional theory (DFT). The experimental and theoretical (DFT) band gap values are compared. |
| format | Article |
| id | doaj-art-b2f22577e51b4123a97e818c5c0f5b5a |
| institution | Kabale University |
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| language | English |
| publishDate | 2025-01-01 |
| publisher | EDP Sciences |
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| series | E3S Web of Conferences |
| spelling | doaj-art-b2f22577e51b4123a97e818c5c0f5b5a2025-02-05T10:47:15ZengEDP SciencesE3S Web of Conferences2267-12422025-01-016010003810.1051/e3sconf/202560100038e3sconf_icegc2024_00038Optical and electronic properties of hybrid organic-inorganic perovskite type [NH3-(CH2)3-COOH]2HgCl4Ouaaka El Mustafa0Khechoubi El Mostafa1LP2MS Laboratory, Team of Renewable Energies, Physics Department of Physics, Faculty of Sciences My Ismail UniversityLP2MS Laboratory, Team of Renewable Energies, Physics Department of Physics, Faculty of Sciences My Ismail UniversityThe hybrid organic-inorganic perovskite type [NH3-(CH2)3-COOH]2HgCl4 was synthesized at room temperature using the slow evaporation method. X-ray Diffraction powder (XRD), Fourier Transform Infrared Spectroscopy (FT-IR), and UV-visible spectroscopy were used to characterize the phase purity, the functional groups, and the optical properties, respectively. [NH3-(CH2)3-COOH]2HgCl4 crystallizes in C2/c space group with cell parameters a=29.2762 (2) Å, b=11.0408 (1) Å, c=11.3944 (1) Å, β=112.532 (2) Å and Z=8.The atomic arrangement shows an alternation of organic and inorganic entities. The cohesion of the bulk crystal is realized via N-H.…Cl and O-H…O hydrogen bonding. The reflectance (R %) was recorded and applied to deduce the optical band gap. The optical results show that this hybrid material undergoes a direct optical transition and presents an energy gap value of about 2.75 eV. The electronic properties total and partial densities of states (TDOS, PDOS), and band structure are calculated using density functional theory (DFT). The experimental and theoretical (DFT) band gap values are compared.https://www.e3s-conferences.org/articles/e3sconf/pdf/2025/01/e3sconf_icegc2024_00038.pdf |
| spellingShingle | Ouaaka El Mustafa Khechoubi El Mostafa Optical and electronic properties of hybrid organic-inorganic perovskite type [NH3-(CH2)3-COOH]2HgCl4 E3S Web of Conferences |
| title | Optical and electronic properties of hybrid organic-inorganic perovskite type [NH3-(CH2)3-COOH]2HgCl4 |
| title_full | Optical and electronic properties of hybrid organic-inorganic perovskite type [NH3-(CH2)3-COOH]2HgCl4 |
| title_fullStr | Optical and electronic properties of hybrid organic-inorganic perovskite type [NH3-(CH2)3-COOH]2HgCl4 |
| title_full_unstemmed | Optical and electronic properties of hybrid organic-inorganic perovskite type [NH3-(CH2)3-COOH]2HgCl4 |
| title_short | Optical and electronic properties of hybrid organic-inorganic perovskite type [NH3-(CH2)3-COOH]2HgCl4 |
| title_sort | optical and electronic properties of hybrid organic inorganic perovskite type nh3 ch2 3 cooh 2hgcl4 |
| url | https://www.e3s-conferences.org/articles/e3sconf/pdf/2025/01/e3sconf_icegc2024_00038.pdf |
| work_keys_str_mv | AT ouaakaelmustafa opticalandelectronicpropertiesofhybridorganicinorganicperovskitetypenh3ch23cooh2hgcl4 AT khechoubielmostafa opticalandelectronicpropertiesofhybridorganicinorganicperovskitetypenh3ch23cooh2hgcl4 |