Exploring the structural, electronic and optical properties of Rb2InGaCl6 and Rb2InGaF6 double perovskite compounds for high-energy applications: a DFT-based investigation

[1]  Xiaofang Chen,et al.  Simulating Crystal Structure, Acidity, Proton Distribution, and IR Spectra of Acid Zeolite HSAPO-34: A High Accuracy Study , 2023, Molecules.

[2]  S. Aftab,et al.  Advances in Mixed 2D and 3D Perovskite Heterostructure Solar Cells: A Comprehensive Review , 2023, Nano Energy.

[3]  Songbo Ye,et al.  Design Strategies for Perovskite-Type High-Entropy Oxides with Applications in Optics. , 2023, ACS applied materials & interfaces.

[4]  J. Li,et al.  Improved electrical resistivity-temperature characteristics of oriented hBN composites for inhibiting temperature-dependence DC surface breakdown , 2023, Applied Physics Letters.

[5]  Y. Hang,et al.  Sensitivity improvement in the measurement of minor components by spatial confinement in fiber-optic laser-induced breakdown spectroscopy , 2023, Spectrochimica Acta Part B: Atomic Spectroscopy.

[6]  Zhi Zhang,et al.  Plasma dynamics and chlorine emission characteristics on cement pastes using collinear dual-pulse laser-induced breakdown spectroscopy , 2023, Spectrochimica Acta Part B: Atomic Spectroscopy.

[7]  Qiaogao Huang,et al.  BaCo0.4Fe0.4Nb0.1Sc0.1O3-δ perovskite oxide with super hydration capacity for a high-activity proton ceramic electrolytic cell oxygen electrode , 2023, Chemical Engineering Journal.

[8]  W. Qin,et al.  Flexible Wearable Strain Sensors Based on Laser-Induced Graphene for Monitoring Human Physiological Signals , 2023, Polymers.

[9]  V. Tirth,et al.  Utilizing density functional theory (DFT) approach for predicting the optoelectronic, structural, and magnetic properties of the spin-polarized scintillating bromo-elpasolite Cs_2LiCeBr_6 , 2023, Optical and Quantum Electronics.

[10]  T. Chtouki,et al.  Deformed Ternary Phosphides III-P for Efficient Light Control in Optoelectronic Applications , 2023, Lasers in Manufacturing and Materials Processing.

[11]  Rui Wang,et al.  Recent advances in nanofiber-based flexible transparent electrodes , 2023, International Journal of Extreme Manufacturing.

[12]  V. Tirth,et al.  Probing the physical properties of M2LiCeF6 (M = Rb and Cs) double perovskite compounds for prospective high-energy applications employing the DFT framework , 2023, RSC advances.

[13]  Xiao-Fang Chen.  Periodic Density Functional Theory (PDFT) Simulating Crystal Structures with Microporous CHA Framework: An Accuracy and Efficiency Study , 2023, Inorganics.

[14]  T. Chtouki,et al.  Optimization of ultra-thin CIGS-based solar cells by strained In1−xGaxAs absorption layer: 1D SCAPS modeling , 2023, Journal of Computational Electronics.

[15]  T. Chtouki,et al.  Modeling and optimization of Sb and N resonance states effect on the band structure of mismatched III-N-V alloys using artificial neural networks , 2023, Materials Science and Engineering: B.

[16]  Daifen Chen,et al.  Investigate the effect of a parallel-cylindrical flow field on the solid oxide fuel cell stack performance by 3D multiphysics simulating , 2023, Journal of Energy Storage.

[17]  A. Murphy,et al.  Determination and assessment of a complete and self-consistent electron-neutral collision cross-section set for the C4F7N molecule , 2023, Journal of Physics D: Applied Physics.

[18]  Wenchao Chen,et al.  Competition Pathways of Energy Relaxation of Hot Electrons through Coupling with Optical, Surface, and Acoustic Phonons , 2023, The Journal of Physical Chemistry C.

[19]  T. Chtouki,et al.  Predicting the bandgap energy of distorted GaSbxAs1-x and InSbxAs1-x using design of experiment (DoE) and artificial intelligence (AI): A comparative study , 2022, Journal of Physics and Chemistry of Solids.

[20]  H. Hou,et al.  Microstructure and properties of graphene nanoplatelets reinforced AZ91D matrix composites prepared by electromagnetic stirring casting , 2022, Journal of Materials Research and Technology.

[21]  Yu Wang,et al.  Auger scattering dynamic of photo-excited hot carriers in nano-graphite film , 2022, Applied Physics Letters.

[22]  Yuan Ma,et al.  Spin–Orbit-Engineered Selective Transport of Photons in Plasmonic Nanocircuits with Panda-Patterned Transporters , 2022, ACS Photonics.

[23]  H. Elansary,et al.  Exploring the exemplary structural, electronic, optical, and elastic nature of inorganic ternary cubic XBaF3 (X = Al and Tl) employing the accurate TB-mBJ approach , 2022, Semiconductor Science and Technology.

[24]  Yuan-Fang Zhang,et al.  Directly Printed Embedded Metal Mesh for Flexible Transparent Electrode via Liquid Substrate Electric‐Field‐Driven Jet , 2022, Advanced science.

[25]  Z. Huang,et al.  Constructing one-dimensional mesoporous carbon nanofibers loaded with NaTi2(PO4)3 nanodots as novel anodes for sodium energy storage , 2021, Journal of Physics and Chemistry of Solids.

[26]  S. Khan,et al.  Structural, electronic, elastic, and magnetic properties of NaQF3 (Q = ag, Pb, Rh, and Ru) flouroperovskites: A first‐principle outcomes , 2021, International Journal of Energy Research.

[27]  Dichen Li,et al.  Templateless, Plating‐Free Fabrication of Flexible Transparent Electrodes with Embedded Silver Mesh by Electric‐Field‐Driven Microscale 3D Printing and Hybrid Hot Embossing , 2021, Advanced materials.

[28]  D. Miracle,et al.  Generalization of intrinsic ductile-to-brittle criteria by Pugh and Pettifor for materials with a cubic crystal structure , 2021, Scientific Reports.

[29]  R. Masrour,et al.  A comparative study between GGA, WC-GGA, TB-mBJ and GGA + U approximations on magnetocaloric effect, electronic, optic and magnetic properties of BaMnS2 compound: DFT calculations and Monte Carlo simulations , 2021 .

[30]  M. Nazeeruddin,et al.  The Role of Goldschmidt’s Tolerance Factor in the Formation of A 2 BX 6 Double Halide Perovskites and its Optimal Range , 2020, Small Methods.

[31]  Chi Fai Cheung,et al.  High-efficiency sub-microscale uncertainty measurement method using pattern recognition. , 2020, ISA transactions.

[32]  T. Katsura,et al.  A Simple Derivation of the Birch–Murnaghan Equations of State (EOSs) and Comparison with EOSs Derived from Other Definitions of Finite Strain , 2019, Minerals.

[33]  Hui‐Ming Cheng,et al.  Reversible calcium alloying enables a practical room-temperature rechargeable calcium-ion battery with a high discharge voltage , 2018, Nature Chemistry.

[34]  Alessandro Busacca,et al.  Mixed-Mode Operation of Hybrid Phase-Change Nanophotonic Circuits. , 2017, Nano letters.

[35]  F. Giustino,et al.  Cs2InAgCl6: A New Lead-Free Halide Double Perovskite with Direct Band Gap. , 2016, The journal of physical chemistry letters.

[36]  Fan Zhang,et al.  A Novel Aluminum–Graphite Dual‐Ion Battery , 2016 .

[37]  W. Windl,et al.  Cs2AgBiX6 (X = Br, Cl): New Visible Light Absorbing, Lead-Free Halide Perovskite Semiconductors , 2016 .

[38]  I. Obot,et al.  Density functional theory (DFT) as a powerful tool for designing new organic corrosion inhibitors. Part 1: An overview , 2015 .

[39]  Hong Jiang.  Band gaps from the Tran-Blaha modified Becke-Johnson approach: a systematic investigation. , 2013, The Journal of chemical physics.

[40]  R. Lakes,et al.  Poisson's ratio and modern materials , 2011, Nature Materials.

[41]  N. Vast,et al.  Murnaghan’s equation of state for the electronic ground state energy , 2006 .

[42]  D. Maroudas,et al.  Applicability of Born's stability criterion to face-centered-cubic crystals in [111] loading , 2005 .

[43]  S. Pugh.  XCII. Relations between the elastic moduli and the plastic properties of polycrystalline pure metals , 1954 .