Study of Narrow Band Gap Double Perovskites (Sr/Ba)2BB'O6 (B = In, Tl, B' = Sb, Bi) for Optical, Thermoelectric, and Mechanical properties

[1]  Afzal Khan,et al.  Exploring electronic, structural, magnetic and thermoelectric properties of novel Ba2EuMoO6 double perovskite , 2022, Materials Science in Semiconductor Processing.

[2]  Q. Mahmood,et al.  New lead-free double perovskites (Rb2GeCl/Br)6; a promising materials for renewable energy applications , 2021 .

[3]  Tahani H. Flemban,et al.  Lead Free Double Perovsites Halides X2AgTlCl6 (X = Rb, Cs) for solar cells and renewable energy applications , 2021 .

[4]  H. Marques,et al.  The Cs2AgRhCl6 Halide Double Perovskite: A Dynamically Stable Lead-Free Transition-Metal Driven Semiconducting Material for Optoelectronics , 2020, Frontiers in Chemistry.

[5]  Zongping Shao,et al.  Recent Advances in Cs2AgBiBr6-Based Halide Double Perovskites as Lead-Free and Inorganic Light Absorbers for Perovskite Solar Cells , 2020 .

[6]  Wei Huang,et al.  Solar energy conversion and utilization: Towards the emerging photo-electrochemical devices based on perovskite photovoltaics , 2020 .

[7]  B. Debnath,et al.  Density Functional Investigations of Structural, Mechanical and Optoelectronic Properties of BeSxSe1−x, BeSxTe1−x and BeSexTe1−x Ternary Alloys , 2019, Journal of Electronic Materials.

[8]  A. Thind,et al.  KBaTeBiO6: A Lead-Free, Inorganic Double-Perovskite Semiconductor for Photovoltaic Applications , 2019, Chemistry of Materials.

[9]  S. Bentata,et al.  Investigation of DFT+U effect of Holmium rare-earth on the electronic, magnetic and the half-metallic ferromagnetic properties' of double perovskite Ba2HoReO6 , 2019, Solid State Communications.

[10]  S. Dar,et al.  Ab-initio DFT based investigation of double perovskite oxide Ba2CdOsO6 with cubic structure , 2019, Computational Condensed Matter.

[11]  N. Alwadai,et al.  Self-Patterned CsPbBr3 Nanocrystals for High-Performance Optoelectronics. , 2019, ACS applied materials & interfaces.

[12]  S. Dar,et al.  A combined DFT, DFT + U and mBJ investigation on electronic structure, magnetic, mechanical and thermodynamics of double perovskite Ba2ZnOsO6 , 2018, Materials Science and Engineering: B.

[13]  Cheng Yan,et al.  Insight into lead-free organic-inorganic hybrid perovskites for photovoltaics and optoelectronics: A first-principles study , 2018, Organic Electronics.

[14]  Q. Mahmood,et al.  The pressure-induced mechanical and optoelectronic behavior of cubic perovskite PbSnO3 via ab-initio investigations , 2018, Ceramics International.

[15]  S. Ur,et al.  Thermoelectric Properties of the Perovskite-Type Oxide SrTi1−xNbxO3 Synthesized by Solid-State Reaction Method , 2018, Electronic Materials Letters.

[16]  J. Bell,et al.  Octadecylamine‐Functionalized Single‐Walled Carbon Nanotubes for Facilitating the Formation of a Monolithic Perovskite Layer and Stable Solar Cells , 2018 .

[17]  Q. Mahmood,et al.  Structural, electronic, optical and thermoelectric investigations of antiperovskites A 3 SnO (A = Ca, Sr, Ba) using density functional theory , 2018 .

[18]  Peng Zhang,et al.  Manipulation of cation combinations and configurations of halide double perovskites for solar cell absorbers , 2018 .

[19]  Maksym V. Kovalenko,et al.  Properties and potential optoelectronic applications of lead halide perovskite nanocrystals , 2017, Science.

[20]  Hong Wang,et al.  Towards lead-free perovskite photovoltaics and optoelectronics by ab-initio simulations , 2017, Scientific Reports.

[21]  T. Maiti,et al.  Effect of Ba-doping on high temperature thermoelectric properties of Sr2TiMoO6 double perovskites , 2017 .

[22]  Yang Yang,et al.  Make perovskite solar cells stable , 2017, Nature.

[23]  O. Bakr,et al.  Powering up perovskite photoresponse , 2017, Science.

[24]  T. Maiti,et al.  Environmental friendly Sr2TiMoO6 double perovskite for high temperature thermoelectric applications , 2017 .

[25]  Su-Huai Wei,et al.  Design of Lead-Free Inorganic Halide Perovskites for Solar Cells via Cation-Transmutation. , 2017, Journal of the American Chemical Society.

[26]  R. Palgrave,et al.  On the application of the tolerance factor to inorganic and hybrid halide perovskites: a revised system , 2016, Chemical science.

[27]  L. Yue,et al.  Light absorption in perovskite solar cell: Fundamentals and plasmonic enhancement of infrared band absorption , 2016 .

[28]  Sandeep,et al.  The electronic, magnetic and optical properties of double perovskite A2FeReO6 (A = Sr, Ba) from first principles approach , 2015 .

[29]  T. Kamiya,et al.  Ligand-Hole in SnI6 Unit and Origin of Band Gap in Photovoltaic Perovskite Variant Cs2SnI6 , 2015, 1503.01458.

[30]  Sandeep Kumar Pathak,et al.  Lead-free organic–inorganic tin halide perovskites for photovoltaic applications , 2014 .

[31]  Tingting Shi,et al.  Unique Properties of Halide Perovskites as Possible Origins of the Superior Solar Cell Performance , 2014, Advanced materials.

[32]  Bo Xu,et al.  Microscopic theory of hardness and design of novel superhard crystals , 2012 .

[33]  K. Suganuma,et al.  Structure and thermoelectric properties of double-perovskite oxides: Sr2−xKxFeMoO6 , 2012 .

[34]  M. Brik.  First-principles calculations of electronic, optical and elastic properties of Ba2MgWO6 double perovskite , 2012 .

[35]  P. Blaha,et al.  Merits and limits of the modified Becke-Johnson exchange potential , 2011 .

[36]  Tae-Sun Choi,et al.  Predicting lattice constant of complex cubic perovskites using computational intelligence , 2011 .

[37]  S. Trigger,et al.  Kramers-Kronig relations for the dielectric function and the static conductivity of Coulomb systems , 2010, 1003.4724.

[38]  David J. Singh,et al.  BoltzTraP. A code for calculating band-structure dependent quantities , 2006, Comput. Phys. Commun..

[39]  J. Nørskov,et al.  Improved adsorption energetics within density-functional theory using revised Perdew-Burke-Ernzerhof functionals , 1999 .

[40]  D. R. Penn,et al.  Wave-Number-Dependent Dielectric Function of Semiconductors , 1962 .

[41]  D. Gupta,et al.  Magneto-electronic, mechanical, thermoelectric and thermodynamic properties of ductile perovskite Ba2SmNbO6 , 2020 .

[42]  Hasnain Ahmad,et al.  Exploring structural, electronic and thermo-elastic properties of metallic AMoO3 (A = Pb, Ba, Sr) molybdates , 2017 .

[43]  Hongxia Wang,et al.  Progress in research on the stability of organometal perovskite solar cells , 2016 .

[44]  T. Zhai,et al.  Crystal organometal halide perovskites with promising optoelectronic applications , 2016 .