Janus MoSSe Nanotubes: Tunable Band Gap and Excellent Optical Properties for Surface Photocatalysis

2018 ◽  
Vol 1 (10) ◽  
pp. 1800082 ◽  
Author(s):  
Zhen-Kun Tang ◽  
Bo Wen ◽  
Mingyang Chen ◽  
Li-Min Liu
Keyword(s):  
Optical Properties ◽  
Band Gap ◽  
Tunable Band Gap

scholarly journals Electric field tunable band-gap crossover in black(blue) phosphorus/g-ZnO van der Waals heterostructures

RSC Advances ◽  
2017 ◽  
Vol 7 (55) ◽  
pp. 34584-34590 ◽  
Author(s):  
Wei Zhang ◽  
Lifa Zhang
Keyword(s):  
Zinc Oxide ◽  
Optical Properties ◽  
Electric Field ◽  
Band Gap ◽  
Density Functional Calculations ◽  
Density Functional ◽  
Van Der Waals ◽  
Van Der Waals Heterostructures ◽  
Hybrid Density Functional ◽  
Tunable Band Gap

Using hybrid density functional calculations, we studied the electronic and optical properties of graphitic zinc oxide (g-ZnO) and phosphorene van der Waals (vdW) heterostructures.

Tunable band gap and optical properties of surface functionalized Sc 2 C monolayer

2017 ◽  
Vol 26 (1) ◽  
pp. 017806 ◽  
Author(s):  
Shun Wang ◽  
Yu-Lei Du ◽  
Wen-He Liao
Keyword(s):  
Optical Properties ◽  
Band Gap ◽  
Tunable Band Gap

scholarly journals Strain-tunable electronic and optical properties of BC3monolayer

RSC Advances ◽  
2018 ◽  
Vol 8 (3) ◽  
pp. 1686-1692 ◽  
Author(s):  
Yang Zhang ◽  
Zhi-Feng Wu ◽  
Peng-Fei Gao ◽  
Dang-Qi Fang ◽  
Er-Hu Zhang ◽  
...  
Keyword(s):  
Optical Properties ◽  
Band Gap ◽  
Structural Stability ◽  
Optoelectronic Devices ◽  
Great Promise ◽  
Electronic And Optical Properties ◽  
Tunable Band Gap

The BC3monolayer holds great promise in the applications of nanoelectronic and optoelectronic devices due to its good structural stability, moderate and tunable band gap, and strain-controllable optical properties.

scholarly journals Tunable optical properties and stability of lead free all inorganic perovskites (Cs2SnIxCl6−x)

2018 ◽  
Vol 6 (6) ◽  
pp. 2577-2584 ◽  
Author(s):  
Weiguang Zhu ◽  
Guoqing Xin ◽  
Yiping Wang ◽  
Xin Min ◽  
Tiankai Yao ◽  
...  
Keyword(s):  
Optical Properties ◽  
Band Gap ◽  
Hydriodic Acid ◽  
Lead Free ◽  
Tunable Optical Properties ◽  
Color Scheme ◽  
Tunable Band Gap

Cs2SnIxCl6−x perovskites were synthesized using hydriodic acid as an iodine source, and the color scheme displays a tunable band gap with varying I−/Cl− ratios.

Modification of optical properties of PC-PBT/Cr2O3 and PC-PBT/CdS nanocomposites by gamma irradiation

2020 ◽  
Vol 92 (2) ◽  
pp. 20402
Author(s):  
Kaoutar Benthami ◽  
Mai ME. Barakat ◽  
Samir A. Nouh
Keyword(s):  
Refractive Index ◽  
Optical Properties ◽  
Band Gap ◽  
Color Difference ◽  
Band Gap Energy ◽  
Polybutylene Terephthalate ◽  
Γ Irradiation ◽  
Gap Energy ◽  
Vis Spectroscopy ◽  
Oxygen Atoms

Nanocomposite (NCP) films of polycarbonate-polybutylene terephthalate (PC-PBT) blend as a host material to Cr2O3 and CdS nanoparticles (NPs) were fabricated by both thermolysis and casting techniques. Samples from the PC-PBT/Cr2O3 and PC-PBT/CdS NCPs were irradiated using different doses (20–110 kGy) of γ radiation. The induced modifications in the optical properties of the γ irradiated NCPs have been studied as a function of γ dose using UV Vis spectroscopy and CIE color difference method. Optical dielectric loss and Tauc's model were used to estimate the optical band gaps of the NCP films and to identify the types of electronic transition. The value of optical band gap energy of PC-PBT/Cr2O3 NCP was reduced from 3.23 to 3.06 upon γ irradiation up to 110 kGy, while it decreased from 4.26 to 4.14 eV for PC-PBT/CdS NCP, indicating the growth of disordered phase in both NCPs. This was accompanied by a rise in the refractive index for both the PC-PBT/Cr2O3 and PC-PBT/CdS NCP films, leading to an enhancement in their isotropic nature. The Cr2O3 NPs were found to be more effective in changing the band gap energy and refractive index due to the presence of excess oxygen atoms that help with the oxygen atoms of the carbonyl group in increasing the chance of covalent bonds formation between the NPs and the PC-PBT blend. Moreover, the color intensity, ΔE has been computed; results show that both the two synthesized NCPs have a response to color alteration by γ irradiation, but the PC-PBT/Cr2O3 has a more response since the values of ΔE achieved a significant color difference >5 which is an acceptable match in commercial reproduction on printing presses. According to the resulting enhancement in the optical characteristics of the developed NCPs, they can be a suitable candidate as activate materials in optoelectronic devices, or shielding sheets for solar cells.

Ab Initio Design of 2D Hybrid Organohalide Perovskites with Tunable Band Gap

2017 ◽  
Author(s):  
Maurizio Cossi ◽  
Alberto Fraccarollo ◽  
Leonardo Marchese
Keyword(s):  
Ab Initio ◽  
Band Gap ◽  
Tunable Band Gap

Deposition time dependent study of structural and optical properties of PbS thin films grown by CBD method

2020 ◽  
Vol 13 ◽  
Author(s):  
Minakshi Chaudhary ◽  
Yogesh Hase ◽  
Ashwini Punde ◽  
Pratibha Shinde ◽  
Ashish Waghmare ◽  
...  
Keyword(s):  
Thin Films ◽  
Optical Properties ◽  
Band Gap ◽  
Deposition Time ◽  
Secondary Growth ◽  
Cost Effective ◽  
Xrd Analysis ◽  
Structural Morphology ◽  
Glass Substrates ◽  
Cbd Method

: Thin films of PbS were prepared onto glass substrates by using a simple and cost effective CBD method. Influence of deposition time on structural, morphology and optical properties have been investigated systematically. The XRD analysis revealed that PbS films are polycrystalline with preferred orientation in (200) direction. Enhancement in crystallinity and PbS crystallite size has been observed with increase in deposition time. Formation of single phase PbS thin films has been further confirmed by Raman spectroscopy. The surface morphology analysis revealed the formation of prismatic and pebble-like PbS particles and with increase in deposition time these PbS particles are separated from each other without secondary growth. The data obtained from the EDX spectra shows the formation of high-quality but slightly sulfur rich PbS thin films over the entire range of deposition time studied. All films show increase in absorption with increase in deposition time and a strong absorption in the visible and sub-band gap regime of NIR range of the spectrum with red shift in band edge. The optical band gap shows decreasing trend, as deposition time increases but it is higher than the band gap of bulk PbS.

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.

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