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Pressure-induced modulation of opto-electro-mechanical Properties of Na₂AgBiX₆ (X = Cl, Br, I) double perovskites for photovoltaic applications
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Ab initio Insight of the Electronic, Structural, Mechanical and Optical Properties of X$$_3$$P$$_2$$ (X= Mg, Ca) from GGA and Hybrid Functional (HSE06)
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Unraveling the triplet excited-state dynamics of Bi3+ in vacancy-ordered double perovskite Cs2SnCl6 nanocrystals
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Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
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Structural properties, electronic structures and optical properties of WB2 with different structures: A theoretical investigation
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Structural, morphological, elastic, optoelectronic and thermoelectric properties of lead-free double perovskite Na2AgBiBr6 for photovoltaic applications: Experimental and DFT insight
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CASTEP study for mapping phase stability, and optical parameters of halide perovskite CsSiBr3 for photovoltaic and solar cell applications
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Ab-initio study of Nb-based complex materials: A new class of materials for optoelectronic applications
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Study of structural, optoelectronic and magnetic properties of Half-Heusler compounds QEuPa (Q= Ba, be, Mg, Sr) using first-principles method
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Proposition of new stable rare-earth ternary semiconductor sulfides of type LaTlS2 (La= Er, Eu, Tb): Ab-initio study and prospects for optoelectronic, spintronic and thermoelectric applications
inferredcites →https://doi.org/10.1016/j.optmat.2023.113570openalex-snapshot
Room temperature synthesis of double perovskite Cs2AlBiCl6 for photovoltaic applications
inferredcites →https://doi.org/10.1021/acs.chemmater.8b05280openalex-snapshot
Cs 2 NaBiCl 6 :Mn 2+ —A New Orange-Red Halide Double Perovskite Phosphor
inferredcites →https://doi.org/10.1021/acs.jpcc.2c03250openalex-snapshot
Mechanism of Pressure-Driven Band Gap Evolutions in Lead-Free Halide Double Perovskites
inferredcites →https://doi.org/10.1021/acs.jpcc.3c05891openalex-snapshot
Tuning the Physical Properties of Lead-Free Halide Double Perovskite Cs2MInCl6 (M = Na, K) via Cu Doping for Optoelectronic Applications: ADFT Investigation
inferredcites →https://doi.org/10.1021/acs.jpcc.8b11500openalex-snapshot
Pressure-Induced Band Structure Evolution of Halide Perovskites: A First-Principles Atomic and Electronic Structure Study
inferredcites →https://doi.org/10.1021/acs.jpclett.1c02072openalex-snapshot
Transformation between the Dark and Bright Self-Trapped Excitons in Lead-Free Double-Perovskite Cs 2 NaBiCl 6 under Pressure
inferredcites →https://doi.org/10.1021/jacs.2c08607openalex-snapshot
Tuning Defects in a Halide Double Perovskite with Pressure
inferredcites →https://doi.org/10.1039/c4cp02201gopenalex-snapshot
New understanding of the difference of photocatalytic activity among anatase, rutile and brookite TiO 2
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Synthesis and luminescence of Mn-doped Cs 2 AgInCl 6 double perovskites
inferredcites →https://doi.org/10.1039/c9nr07030copenalex-snapshot
Pressure-induced structural transition and band gap evolution of double perovskite Cs 2 AgBiBr 6 nanocrystals
inferredcites →https://doi.org/10.1063/1.1564060openalex-snapshot
Hybrid functionals based on a screened Coulomb potential
inferredcites →https://doi.org/10.1080/08927022.2023.2251604openalex-snapshot
First-principles calculations to investigate structural, mechanical, electronic, optical, and thermoelectric properties of novel cubic double Perovskites X2AgBiBr6 (X=Li, Na, K, Rb, Cs) for optoelectronic devices
inferredcites →https://doi.org/10.1088/0370-1298/65/5/307openalex-snapshot
The Elastic Behaviour of a Crystalline Aggregate
inferredcites →https://doi.org/10.1093/oso/9780192670083.001.0001openalex-snapshot
Dynamical Theory Of Crystal Lattices
inferredcites →https://doi.org/10.1103/physrevb.50.17953openalex-snapshot
Projector augmented-wave method
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Necessary and sufficient elastic stability conditions in various crystal systems
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Generalized Gradient Approximation Made Simple
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Lead-Free Semiconductors with High Absorption: Insight into the Optical Properties of K2GeSnBr6 and K2GeSnI6 Halide Double Perovskites
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Effective bandgap narrowing and enhanced optoelectronic performance of Cs 2 PtBr 6 double perovskites by pressure engineering
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