Theoretical engineering of physical characteristics of novel double perovskite Cs2CeAgX6 (X= Cl, Br) for optoelectronic and thermoelectric applications
暂无分享,去创建一个
Badriah S. Almutairi | R. Khenata | M. Asghar | M. Waqas Iqbal | Muhammad Zammad Aslam | S. Bin-Omran | Mumtaz Manzoor | Shahbaz Riaz | Mohd. Zahid Ansari | Ejaz Ahmad Khera
[1] D. Behera,et al. First-principles calculations to investigate structural, optoelectronics and thermoelectric properties of lead free Cs2GeSnX6 (X = Cl, Br) , 2023, Materials Science and Engineering: B.
[2] Zhichao Ma,et al. Mechanical and magnetic investigations of Fe71Ga29 alloys under different thermal treatment temperature and time effects , 2023, Journal of Materials Research and Technology.
[3] V. Raman,et al. Thermodynamic properties of MgFeH3 alloy , 2023, Experimental and Theoretical NANOTECHNOLOGY.
[4] N. Kojal,et al. Structural and thermal properties of H6Ta2O17 , 2023, Experimental and Theoretical NANOTECHNOLOGY.
[5] Aziz Ahmad,et al. First-principles calculations to investigate optical properties of topological semimetal MX compounds (M = Ti, Zr, Hf and X = S, Se, Te) , 2023, Materials Today Communications.
[6] M. Iqbal,et al. DFT insights on the opto-electronic and thermoelectric properties of double perovskites K2AgSbX6 (X = Cl, Br) via halides substitutions for solar cell applications , 2023, Materials Science and Engineering: B.
[7] Pratap Vishnoi,et al. Molybdenum chloride double perovskites: dimensionality control of optical and magnetic properties , 2023, Chemical science.
[8] Tian-yu Tang,et al. Physical and optoelectronic properties of double halide perovskites A2CuSbX6 (A = Cs, Rb, K; X = Cl, Br, I) based on first principles calculations , 2023, Chemical Physics.
[9] S. Aldaghfag,et al. Investigation of cubic K2NaXBr6(X=Sc, Y) double perovskites for optical and thermoelectric devices: A DFT study , 2023, Journal of Physics and Chemistry of Solids.
[10] Abdullah,et al. Investigation of Structural, Opto-Electronic, Mechanical and Thermoelectric Properties of Rb-based fluoro-perovskites RbXF3 (X=Rh, Os, Ir) via first-principles calculations , 2023, Journal of Saudi Chemical Society.
[11] J. Liu,et al. Structural, dynamical, thermodynamic properties of CdYF3 perovskite , 2023, Experimental and Theoretical NANOTECHNOLOGY.
[12] S. Radiman,et al. Investigation of structural and optical properties of In-doped AlSb nanostructures , 2023, Experimental and Theoretical NANOTECHNOLOGY.
[13] A. Reshak,et al. Structural, electronic, and optoelectronic properties of XYZ2 (X=Zn,Cd; Y=Si,Sn; Z=pnicogens) Chalcopyrite compounds: First-principles calculations , 2023, Experimental and Theoretical NANOTECHNOLOGY.
[14] R. Sahnoun. Gap bowing of in Pb1-xCaxS, Pb1-xCaxSe and Pb1-xCaxTe alloys , 2023, Experimental and Theoretical NANOTECHNOLOGY.
[15] Saleh S. Alarfaji,et al. Exploring the structural, electronic, optical, and thermoelectric properties of potassium-based double perovskites K2AgXI6 (X = Sb, Bi) compounds: A DFT study , 2023, Materials Science and Engineering: B.
[16] Shi-Quan Wu,et al. First-principles calculations to investigate structural, electronic, optical and thermodynamic properties of anti-perovskite compounds X3OI(X= Na, K, Rb) , 2022, Journal of Materials Research and Technology.
[17] M. U. Din,et al. Structural, elastic, electronic, optical and thermoelectric response of lead-free double perovskite Rb2TlInX6 (X=Cl, I) for energy storage devices: DFT+SOC investigations , 2022, Materials Science in Semiconductor Processing.
[18] Zhengtao Shi,et al. A first-principles study on the potential of MAB2 (M=Nb, ta; A=Co, Ni) ternary borides as friction-resistance cermet , 2022, Solid State Communications.
[19] Xinhua Zhu,et al. Influence of Ba-doping on the Structural and Physical Properties of Sr2-xBaxFeVO6 Double Perovskites , 2022, Journal of Alloys and Compounds.
[20] M. Iqbal,et al. Investigated the structural, optoelectronic, mechanical, and thermoelectric properties of Sr2BTaO6 (B = Sb, Bi) for solar cell applications , 2022, International Journal of Energy Research.
[21] A. Bouhemadou,et al. Elastic, electronic, optical and thermoelectric properties of the novel Zintl-phase Ba2ZnP2 , 2022, Solid State Sciences.
[22] Y. Al-Douri,et al. Investigation of structural, magneto-electronic, elastic, mechanical and thermoelectric properties of novel lead-free halide double perovskite Cs2AgFeCl6: First-principles calcuations , 2022, Journal of Physics and Chemistry of Solids.
[23] S. Réhman,et al. First-principles prediction of the ground-state crystal structure of double-perovskite halides Cs2AgCrX6 (X = Cl, Br, and I) , 2021, Journal of Physics and Chemistry of Solids.
[24] D. Gupta,et al. Potential lead-free small band gap halide double perovskites Cs2CuMCl6 (M = Sb, Bi) for green technology , 2021, Scientific Reports.
[25] M. Ameri,et al. Theoretical investigations of structural, mechanical, electronic and optical properties of NaScSi alloy , 2021, Emergent Materials.
[26] B. Marimuthu,et al. Manufacturing of Al-Li-Si3N4 metal matrix composite for weight reduction , 2021 .
[27] Muhammad Iqbal Hussain,et al. ab initio study of oxygen vacancy effects on structural, electronic and thermoelectric behavior of AZr1-xMxO3 (A = Ba, Ca, Sr; M= Al, Cu, x = 0.25) for application of memory devices. , 2020, Journal of molecular graphics & modelling.
[28] M. Ahamed,et al. Structural, electronic, magnetic and half-metallic properties of cubic perovskites NaBeO3 and KBeO3 using PBE-GGA and TB-mBJ approach: A DFT perspective , 2020, Applied Physics A.
[29] Anubhav Jain,et al. Optimal band structure for thermoelectrics with realistic scattering and bands , 2020, npj Computational Materials.
[30] Ya Wang,et al. Personalized dynamic transport of magnetic nanorobots inside the brain vasculature , 2020, Nanotechnology.
[31] Raghad Y. Mohammed,et al. Comparative study of chemically deposited CdS thin films and of the non-synthesized CdSO4 under pressure and temperature within first principles , 2020 .
[32] N. A. Niaz,et al. Structural, electronic and optical properties of transition metal doped Hf1-xTMxO2 (TM = Co, Ni and Zn) using modified TB-mBJ potential for optoelectronic memristors devices , 2020, Optik.
[33] Y. Al-Douri,et al. First-principles calculations to investigate magnetic and thermodynamic properties of new multifunctional full-Heusler alloy Co2TaGa , 2019, Indian Journal of Physics.
[34] Khalid Mujasam Batoo,et al. First‐Principles Calculations to Investigate the Refractive Index and Optical Dielectric Constant of Na3SbX4 (X = S, Se) Ternary Chalcogenides , 2019, physica status solidi (b).
[35] D. Mitzi. Introduction: Perovskites. , 2019, Chemical reviews.
[36] Matthew D. Smith,et al. Tuning the Luminescence of Layered Halide Perovskites. , 2019, Chemical reviews.
[37] D. Enescu. Thermoelectric Energy Harvesting: Basic Principles and Applications , 2019, Green Energy Advances.
[38] B. Bouhafs,et al. Gd impurities effect on $$\hbox {Co}_{2}\hbox {CrSi}$$Co2CrSi alloy: first-principle calculations , 2018 .
[39] R. Ahmed,et al. Structural, electronic, optical and thermodynamic investigations of NaXF 3 (X = Ca and Sr): First-principles calculations , 2018 .
[40] Yu Tian,et al. Perovskite-Based Solar Cells: Materials, Methods, and Future Perspectives , 2018 .
[41] Y. Al-Douri,et al. First-principles calculations of pressure and temperature dependence of thermodynamic properties of anti-perovskite BiNBa3 compound , 2017 .
[42] A. Bouhemadou,et al. Structural, elastic and lattice dynamical properties of the alkali metal tellurides: First-principles study , 2017 .
[43] Shengsheng He,et al. A Short Progress Report on High-Efficiency Perovskite Solar Cells , 2017, Nanoscale Research Letters.
[44] Y. Al-Douri,et al. Pressure and temperature dependence of the structural, elastic and thermodynamic properties of potassium telluride: First-principles calculations , 2017 .
[45] Y. Al-Douri,et al. Structural, Mechanical and Thermodynamic Properties Under Pressure Effect of Rubidium Telluride: First Principle Calculations , 2017 .
[46] A. Bouhemadou,et al. First-principles calculations to investigate the structural, electronic and optical properties of Zn 1 - x Mg x Te ternary alloys , 2017 .
[47] Y. Al-Douri,et al. Optical properties of (Pb 1- x Mn x S) 1- y Fe y materials from first-principles calculations , 2017 .
[48] Y. Al-Douri,et al. First-principles Calculations of Structural, Magnetic Electronic and Optical Properties of Rare-earth Metals TbX (X=N, O, S, Se) , 2017, Journal of Superconductivity and Novel Magnetism.
[49] A. Bouhemadou,et al. Structural, Elastic, Electronic and Optical Properties of LaOAgS-Type Silver Fluoride Chalcogenides: First-Principles Study , 2017, Journal of Electronic Materials.
[50] A. Bouhemadou,et al. Doping-Induced Half-Metallic Ferromagnetism in Vanadium and Chromium-Doped Alkali Oxides K2O and Rb2O: Ab Initio Method , 2017 .
[51] Juntao Li,et al. Efficient Indium‐Doped TiOx Electron Transport Layers for High‐Performance Perovskite Solar Cells and Perovskite‐Silicon Tandems , 2017 .
[52] M. Nazeeruddin. In retrospect: Twenty-five years of low-cost solar cells , 2016, Nature.
[53] Y. Al-Douri,et al. Two symmetric n-type interfaces SrTiO3/LaAlO3 in perovskite: Electronic properties from density functional theory , 2016 .
[54] Shijing Sun,et al. Exploring the properties of lead-free hybrid double perovskites using a combined computational-experimental approach , 2016, 1606.02916.
[55] A. Benyoussef,et al. Comparative study between TB-mBJ and GGA+U on magnetic and optical properties of CdFe 2 O 4 , 2015 .
[56] Afaq Ahmad,et al. Putting DFT to the trial: First principles pressure dependent analysis on optical properties of cubic perovskite SrZrO3 , 2015 .
[57] Y. Al-Douri,et al. Predictive study of structural, electronic, magnetic and thermodynamic properties of XFeO3 (X = Ag, Zr and Ru) multiferroic materials in cubic perovskite structure: first-principles calculations , 2015 .
[58] G. Murtaza,et al. Structural, mechanical and electronic properties of sodium based fluoroperovskites NaXF3 (X=Mg, Zn) from first-principle calculations , 2015 .
[59] Sang Il Seok,et al. Solvent engineering for high-performance inorganic-organic hybrid perovskite solar cells. , 2014, Nature materials.
[60] N. Park,et al. Lead Iodide Perovskite Sensitized All-Solid-State Submicron Thin Film Mesoscopic Solar Cell with Efficiency Exceeding 9% , 2012, Scientific Reports.
[61] R. Baquero,et al. Performance of the modified Becke-Johnson potential , 2012, 1206.3780.
[62] F. Litimein,et al. First-principle calculations to investigate the elastic and thermodynamic properties of RBRh3 (R = Sc, Y and La) perovskite compounds , 2012 .
[63] P. Blaha,et al. Merits and limits of the modified Becke-Johnson exchange potential , 2011 .
[64] Z. Charifi,et al. Ab-initio calculation of structural, electronic, and optical characterizations of the intermetallic trialuminides ScAl3 compound , 2010 .
[65] K. Schwarz,et al. Electronic structure calculations of solids using the WIEN2k package for material sciences , 2002 .
[66] M. Yahya,et al. Hubbard U calculations on optical properties of 3d transition metal oxide TiO2 , 2016 .