First principles study of structural, electronic and optical properties of orthorhombic phase Ni-doped Bi2Se3 using density functional theory

Mohyedin, Muhammad Zamir; Malik, Norasyikin Abdul; Taib, Mohamad Fariz Mohamad; Mustaffa, M.; Hassan, Oskar Hasdinor; Ali, Abdul Karim; Haq, Bakhtiar Ul; Yahya, Muhd Zu Azhan

doi:10.1016/j.cocom.2020.e00510

Cited by 10 publications

(3 citation statements)

References 40 publications

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“…On the other hand, the e 2 (w) in figure 7 The bending of incident light as it penetrates a substance is explained by the refractive index n (w). The imaginary part of the refractive index related to the attenuation of light is known as the extinction coefficient k (w) [32]. Figures 8(a It is important to note that the refractive index is inversely proportional to the wavelength.…”

Section: Electron Densitymentioning

confidence: 99%

The influence of different metals (II) in hybrid perovskite of (2-AMP)BI₄ (B = Pb, Sn) onto the structural, electronic and optical properties: A DFT study

Yami,

Ramli,

Nawawi

et al. 2023

Phys. Scr.

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The first principle study on structural, electronic, and optical properties of 2D hybrid halide compound (2-AMP)BI4 (B = Pb, Sn) was analyzed using CASTEP computer code. The calculations were performed using generalized gradient approximation (GGA) schemes. This study aims to look at a few characteristics of (2-AMP)SnI4 as a potential replacement for (2-AMP)PbI4 as a light absorber in solar cell applications due to its toxicity to humans and the environment. The results show that the substitution of lead (Pb) with tin (Sn) can replace Pb-based hybrid halide perovskite due to low band gap, high optical absorption in UV–Visible area, and improved polarizability of electric current. To conclude, 2D Sn-based solar cells are well suited for light harvesting in solar devices. This research may give some information on the properties of 2D Sn-based solar cells for use in renewable energy applications.

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Section: Electron Densitymentioning

confidence: 99%

The influence of different metals (II) in hybrid perovskite of (2-AMP)BI₄ (B = Pb, Sn) onto the structural, electronic and optical properties: A DFT study

Yami,

Ramli,

Nawawi

et al. 2023

Phys. Scr.

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show abstract

“…Two main strategies are employed to achieve this: tuning the stoichiometry of materials and introducing atomic impurities. Doping of Bi 2 Se 3 with different elements, such as Sn, Ni, Te, and Sb, has been reported to improve its thermoelectric performance [17][18][19][20][21][22][23]. However, the application is far from practical.…”

Section: Introductionmentioning

confidence: 99%

Structural, Optical, Electrical, and Thermoelectric Properties of Bi2Se3 Films Deposited at a High Se/Bi Flow Rate

Chuai,

Wang,

Bai

2023

Nanomaterials

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Low-temperature synthesis of Bi2Se3 thin film semiconductor thermoelectric materials is prepared by the plasma-enhanced chemical vapor deposition method. The Bi2Se3 film demonstrated excellent crystallinity due to the Se-rich environment. Experimental results show that the prepared Bi2Se3 film exhibited 90% higher transparency in the mid-IR region, demonstrating its potential as a functional material in the atmospheric window. Excellent mobility of 2094 cm2/V·s at room temperature is attributed to the n-type conductive properties of the film. Thermoelectrical properties indicate that with the increase in Se vapor, a slight decrease in conductivity of the film is observed at room temperature with an obvious increase in the Seebeck coefficient. In addition, Bi2Se3 thin film showed an enhanced power factor of as high as 3.41 μW/cmK2. Therefore, plasma-enhanced chemical vapor deposition (PECVD)-grown Bi2Se3 films on Al2O3 (001) substrates demonstrated promising thermoelectric properties.

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“…The optical band gap of Bi 2 Se 3 can be tuned by controlling the following factors. (1) The method of synthesis, which can be chemical deposition 15 – 17 , thermal evaporation 18 , 19 , or the hydrothermal method 20 , and (2) dopants, such as Te 19 , 21 , Sb 22 , Pb 23 , Dy 24 , Ni 25 , Sn 11 , Cr 26 , In 11 , Gd 27 , Tl 28 , Fe 29 , and Nd 20 . (3) the heterostructures; these include ZnO@CdS nanostructures 30 , ZnO-ZnS nanostructures 31 , TiO 2 @CdS nanorods 32 , ZnO@Ag nanostructures 33 , silver/ZnO and gold/ZnO nanostructures 34 , and CdSe/ZnS nanocrystals 35 .…”

Section: Introductionmentioning

confidence: 99%

Fabrication, characterization and optical properties of Au-decorated Bi2Se3 nanoplatelets

Wang

Chang

Lin

et al. 2022

Sci Rep

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Au-decorated Bi2Se3 nanoplatelet heterostructures are fabricated by a two-step process of thermal CVD at 600 °C and magnetron sputtering at room-temperature. The crystal structures and binding energies of rhombohedral Bi2Se3 and FCC Au are determined by XRD, HRTEM, XPS, and Raman spectroscopy. XPS and Raman spectroscopy reveal the interaction between Au and Bi2Se3 by shifting in the binding energies of Au–Au, Au–Se and Bi–Se bonds and the wavenumber of A1g2 and Eg2 modes. Au-decorated Bi2Se3 nanoplatelet heterostructures are observed using FESEM, and confirmed by XPS, Raman spectroscopy, and HRTEM imaging. Their optical band gap of the Au-decorated Bi2Se3 nanoplatelet heterostructures increases with Au thickness about 1.92-fold as much as that of pristine Bi2Se3 (0.39 eV), owing to the Burstein-Moss effect. The optical absorptance of the Au-decorated Bi2Se3 nanoplatelet heterostructures revealed increment with wavelength from 200 to 500 nm and decrement with increasing wavelength from 500 to 800 nm.

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First principles study of structural, electronic and optical properties of orthorhombic phase Ni-doped Bi2Se3 using density functional theory

Cited by 10 publications

References 40 publications

The influence of different metals (II) in hybrid perovskite of (2-AMP)BI₄ (B = Pb, Sn) onto the structural, electronic and optical properties: A DFT study

The influence of different metals (II) in hybrid perovskite of (2-AMP)BI₄ (B = Pb, Sn) onto the structural, electronic and optical properties: A DFT study

Structural, Optical, Electrical, and Thermoelectric Properties of Bi2Se3 Films Deposited at a High Se/Bi Flow Rate

Fabrication, characterization and optical properties of Au-decorated Bi2Se3 nanoplatelets

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First principles study of structural, electronic and optical properties of orthorhombic phase Ni-doped Bi2Se3 using density functional theory

Cited by 10 publications

References 40 publications

The influence of different metals (II) in hybrid perovskite of (2-AMP)BI4 (B = Pb, Sn) onto the structural, electronic and optical properties: A DFT study

The influence of different metals (II) in hybrid perovskite of (2-AMP)BI4 (B = Pb, Sn) onto the structural, electronic and optical properties: A DFT study

Structural, Optical, Electrical, and Thermoelectric Properties of Bi2Se3 Films Deposited at a High Se/Bi Flow Rate

Fabrication, characterization and optical properties of Au-decorated Bi2Se3 nanoplatelets

Contact Info

Product

Resources

About

The influence of different metals (II) in hybrid perovskite of (2-AMP)BI₄ (B = Pb, Sn) onto the structural, electronic and optical properties: A DFT study

The influence of different metals (II) in hybrid perovskite of (2-AMP)BI₄ (B = Pb, Sn) onto the structural, electronic and optical properties: A DFT study