In- and Ga-based inorganic double perovskites with direct bandgaps for photovoltaic applications

2017 ◽  
Vol 19 (32) ◽  
pp. 21691-21695 ◽  
Author(s):  
Jun Dai ◽  
Liang Ma ◽  
Minggang Ju ◽  
Jinsong Huang ◽  
Xiao Cheng Zeng
Keyword(s):  
Band Gap ◽  
Double Perovskites ◽  
Direct Band Gap ◽  
Photovoltaic Applications ◽  
Direct Band

Double perovskites in the form of A2B′B′′X6 (A = Cs, B′ = Cu, Ag, Au, B′′ = In, Ga, X = Cl, Br, I) are examined for photovoltaic applications. Only Cs2AgInBr6 is predicted to be thermodynamically stable with a direct band gap in the range of 0.9–1.6 eV.

scholarly journals Indirect-to-direct band gap transition and optical properties of metal alloys of Cs2Te1−xTixI6: a theoretical study

RSC Advances ◽  
2020 ◽  
Vol 10 (60) ◽  
pp. 36734-36740
Author(s):  
Diwen Liu ◽  
Wenying Zha ◽  
Rusheng Yuan ◽  
Benyong Lou ◽  
Rongjian Sa
Keyword(s):  
Optical Properties ◽  
Band Gap ◽  
Theoretical Study ◽  
Metal Alloys ◽  
Double Perovskites ◽  
Direct Band Gap ◽  
Photovoltaic Applications ◽  
Direct Band

In recent years, double perovskites have attracted considerable attention as potential candidates for photovoltaic applications.

scholarly journals Properties of Novel Non-Silicon Materials for Photovoltaic Applications: A First-Principle Insight

Materials ◽  
2018 ◽  
Vol 11 (10) ◽  
pp. 2006 ◽  
Author(s):  
Murugesan Rasukkannu ◽  
Dhayalan Velauthapillai ◽  
Federico Bianchini ◽  
Ponniah Vajeeston
Keyword(s):  
Band Gap ◽  
Density Functional ◽  
Crystalline Silicon ◽  
Visible Region ◽  
Initial Population ◽  
First Principle ◽  
Direct Band Gap ◽  
Depth Analysis ◽  
Photovoltaic Applications ◽  
Direct Band

Due to the low absorption coefficients of crystalline silicon-based solar cells, researchers have focused on non-silicon semiconductors with direct band gaps for the development of novel photovoltaic devices. In this study, we use density functional theory to model the electronic structure of a large database of candidates to identify materials with ideal properties for photovoltaic applications. The first screening is operated at the GGA level to select only materials with a sufficiently small direct band gap. We extracted twenty-seven candidates from an initial population of thousands, exhibiting GGA band gap in the range 0.5–1 eV. More accurate calculations using a hybrid functional were performed on this subset. Based on this, we present a detailed first-principle investigation of the four optimal compounds, namely, TlBiS2, Ba3BiN, Ag2BaS2, and ZrSO. The direct band gap of these materials is between 1.1 and 2.26 eV. In the visible region, the absorption peaks that appear in the optical spectra for these compounds indicate high absorption intensity. Furthermore, we have investigated the structural and mechanical stability of these compounds and calculated electron effective masses. Based on in-depth analysis, we have identified TlBiS2, Ba3BiN, Ag2BaS2, and ZrSO as very promising candidates for photovoltaic applications.

Tailorable Indirect to Direct Band-Gap Double Perovskites with Bright White-Light Emission: Decoding Chemical Structure Using Solid-State NMR

2020 ◽  
Vol 142 (24) ◽  
pp. 10780-10793 ◽  
Author(s):  
Abhoy Karmakar ◽  
Guy M. Bernard ◽  
Alkiviathes Meldrum ◽  
Anton O. Oliynyk ◽  
Vladimir K. Michaelis
Keyword(s):  
Solid State ◽  
Band Gap ◽  
White Light ◽  
Solid State Nmr ◽  
Chemical Structure ◽  
Light Emission ◽  
Double Perovskites ◽  
Direct Band Gap ◽  
Bright White Light ◽  
Direct Band

scholarly journals Direct and quasi-direct band gap silicon allotropes with low energy and strong absorption in the visible for photovoltaic applications

2020 ◽  
Vol 18 ◽  
pp. 103271 ◽  
Author(s):  
Wei Zhang ◽  
Changchun Chai ◽  
Qingyang Fan ◽  
Yanxing Song ◽  
Yintang Yang
Keyword(s):  
Band Gap ◽  
Low Energy ◽  
Strong Absorption ◽  
Direct Band Gap ◽  
Photovoltaic Applications ◽  
Direct Band

Optical Studies of Poly (N-Carbazole) (PVK) Blending with Polyvinylpyrrolidone (PVP) Using Tauc/Davis-Mott Model

2013 ◽  
Vol 652-654 ◽  
pp. 527-531 ◽  
Author(s):  
A.N. Alias ◽  
T.I. Tunku Kudin ◽  
Z.M. Zabidi ◽  
M.K. Harun ◽  
Ab Malik Marwan Ali ◽  
...  
Keyword(s):  
Band Gap ◽  
Urbach Energy ◽  
Quartz Substrate ◽  
Optical Studies ◽  
Direct Band Gap ◽  
Mott Model ◽  
Blended Polymer ◽  
Electronic Parameters ◽  
Direct Band ◽  
Indirect Band Gap

The optical absorption spectra of blended poly (N-carbazole) (PVK) with polyvinylpyrrolidone (PVP) in various compositions are investigated. A doctor blade technique was used to coat the blended polymer on a quartz substrate. The electronic parameters such as absorption edge (Ee), allowed direct band gap (Ed), allowed indirect band gap (Ei), Urbach edge (Eu) and steepness parameter (γ) were calculated using Tauc/Davis-Mott Model. The results reveal that the Ee, Ed and Ei increase with increasing of PVP ratio. There also have variation changing in Urbach energy and steepness parameter.

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