scholarly journals Electronic and optical properties of vacancy ordered double perovskites A2BX6 (A = Rb, Cs; B = Sn, Pd, Pt; and X = Cl, Br, I): a first principles study

2021 ◽  
Vol 11 (1) ◽  
Author(s):  
Muhammad Faizan ◽  
K. C. Bhamu ◽  
Ghulam Murtaza ◽  
Xin He ◽  
Neeraj Kulhari ◽  
...  
Keyword(s):  
Optical Properties ◽  
Band Gap ◽  
First Principles ◽  
Density Functional ◽  
Perovskite Solar Cells ◽  
Dielectric Constants ◽  
Maximum Efficiency ◽  
Exchange Potential ◽  
Double Perovskites ◽  
Electronic And Optical Properties

AbstractThe highly successful PBE functional and the modified Becke–Johnson exchange potential were used to calculate the structural, electronic, and optical properties of the vacancy-ordered double perovskites A2BX6 (A = Rb, Cs; B = Sn, Pd, Pt; X = Cl, Br, and I) using the density functional theory, a first principles approach. The convex hull approach was used to check the thermodynamic stability of the compounds. The calculated parameters (lattice constants, band gap, and bond lengths) are in tune with the available experimental and theoretical results. The compounds, Rb2PdBr6 and Cs2PtI6, exhibit band gaps within the optimal range of 0.9–1.6 eV, required for the single-junction photovoltaic applications. The photovoltaic efficiency of the studied materials was assessed using the spectroscopic-limited-maximum-efficiency (SLME) metric as well as the optical properties. The ideal band gap, high dielectric constants, and optimum light absorption of these perovskites make them suitable for high performance single and multi-junction perovskite solar cells.

Electronic and optical properties of O-doped porous boron nitride: A first principle study

2021 ◽  
Vol 299 ◽  
pp. 122139
Author(s):  
Yan Liu ◽  
Lanlan Li ◽  
Qiaoling Li ◽  
Xinghua Zhang ◽  
Zunming Lu ◽  
...  
Keyword(s):  
Optical Properties ◽  
Boron Nitride ◽  
First Principle ◽  
Electronic And Optical Properties

scholarly journals Towards practical applications of quantum emitters in boron nitride

2021 ◽  
Vol 11 (1) ◽  
Author(s):  
M. Koperski ◽  
K. Pakuła ◽  
K. Nogajewski ◽  
A. K. Dąbrowska ◽  
M. Tokarczyk ◽  
...  
Keyword(s):  
Optical Properties ◽  
Boron Nitride ◽  
Vapour Phase ◽  
Emission Characteristics ◽  
Vapour Phase Epitaxy ◽  
Practical Applications ◽  
Metalorganic Vapour Phase Epitaxy ◽  
Polydimethylsiloxane Films ◽  
Background Luminescence ◽  
Quantum Emitters

AbstractWe demonstrate quantum emission capabilities from boron nitride structures which are relevant for practical applications and can be seamlessly integrated into a variety of heterostructures and devices. First, the optical properties of polycrystalline BN films grown by metalorganic vapour-phase epitaxy are inspected. We observe that these specimens display an antibunching in the second-order correlation functions, if the broadband background luminescence is properly controlled. Furthermore, the feasibility to use flexible and transparent substrates to support hBN crystals that host quantum emitters is explored. We characterise hBN powders deposited onto polydimethylsiloxane films, which display quantum emission characteristics in ambient environmental conditions.

scholarly journals Effect of Dopant Concentration on the Structural, Optical and Sensing Properties of (SnO2)1-x(TiO2:CuO)x Sprayed Films

2019 ◽  
Vol 16 (2) ◽  
pp. 0361
Author(s):  
Mahmood Et al.
Keyword(s):  
Optical Properties ◽  
Band Gap ◽  
Energy Band ◽  
Spray Pyrolysis Technique ◽  
Single Crystal Silicon ◽  
Dielectric Constants ◽  
Energy Band Gap ◽  
Crystal Silicon ◽  
X Ray ◽  
Regular Manner

      Spray pyrolysis technique was subjected to synthesized (SnO2)1-x (TiO2: CuO) x Thin films on different substrates like glass and single crystal silicon using. The structure of the deposited films was studied using x-ray diffraction. A more pronounced diffraction peaks of SnO2 while no peaks of (CuO , TiO2 ) phase appear in the X-ray profiles by increasing of the content of (TiO2 , CuO) in the sprayed films. Mixing concentration (TiO2 , CuO) influences on the size of the crystallites of the SnO2 films ,the size of crystallites of the spray paralyzed oxide films change in regular manner by increasing of (TiO2 , CuO) amount. The effect of mixing concentration on the optical properties of the films was also investigated. The reflectance and transmittance spectra  in the wavelength range (300-1100) nm were employed to determine the optical properties such as energy band gap (Eg) and refractive index (n),  extinction coefficient  (k) , real and imaginary parts of dielectric constants (ε1, ε2) for (SnO2)1-x(TiO2:CuO)x films. The energy band gap omit of which showed reduction from (3.65 to 2.2) eV by reducing of SnO2 amount from (100 to 70) % .The reduction of energy band gap was ascribed to the new tail states introduced in the band gap of tin oxide. The sensitivity of the prepared sensor film was determined resistance difference of the films when exposed to oxidizing gas. The data declared that the mixed SnO2 films have better sensitivity in comparison with unmixed films.

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