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Ultralow Lattice Thermal Conductivity in Double Perovskite Cs2PtI6: A Promising Thermoelectric Material

https://doi.org/10.1021/acsaem.0c02236
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Outgoing claims: the papers this work cites, builds on, or argues with.

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From unstable CsSnI3 to air-stable Cs2SnI6: A lead-free perovskite solar cell light absorber with bandgap of 1.48 eV and high absorption coefficient
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Computational Study of Halide Perovskite-Derived A 2 BX 6 Inorganic Compounds: Chemical Trends in Electronic Structure and Structural Stability
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Exceptional Thermoelectric Properties of Layered GeAs 2
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Ultralow Lattice Thermal Conductivity and Thermoelectric Properties of Monolayer Tl 2 O
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Decoupling Interrelated Parameters for Designing High Performance Thermoelectric Materials
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Air-Stable Molecular Semiconducting Iodosalts for Solar Cell Applications: Cs 2 SnI 6 as a Hole Conductor
inferredcites →https://doi.org/10.1021/jacs.0c03427openalex-snapshot
All-Inorganic Halide Perovskites as Potential Thermoelectric Materials: Dynamic Cation off-Centering Induces Ultralow Thermal Conductivity
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Intrinsically Ultralow Thermal Conductivity in Ruddlesden–Popper 2D Perovskite Cs2PbI2Cl2: Localized Anharmonic Vibrations and Dynamic Octahedral Distortions
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Fabrication of Efficient Formamidinium Tin Iodide Perovskite Solar Cells through SnF2–Pyrazine Complex
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Solution-Processed Cesium Hexabromopalladate(IV), Cs2PdBr6, for Optoelectronic Applications
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Ultralow thermal conductivity and high thermoelectric figure of merit in SnSe crystals
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Observation of room-temperature ballistic thermal conduction persisting over 8.3 µm in SiGe nanowires
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The emergence of perovskite solar cells
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Few-quintuple Bi2Te3 nanofilms as potential thermoelectric materials
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Lone pair electrons minimize lattice thermal conductivity
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First-principles study of thermal transport properties in the two- and three-dimensional forms of Bi 2 O 2 Se
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Electrons and Phonons
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A grid-based Bader analysis algorithm without lattice bias
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Distinguishing between chemical bonding and physical binding using electron localization function (ELF)
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Electrons and Phonons: The Theory of Transport Phenomena in Solids
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Method to extract anharmonic force constants from first principles calculations
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Heat transport in silicon from first-principles calculations
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Phonon conduction in PbSe, PbTe, and PbTe 1−x Se x from first-principles calculations
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Phonon thermal transport in Bi2Te3 from first principles
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First-principles calculation of lattice thermal conductivity in crystalline phase change materials: GeTe, Sb2Te3 , and Ge2Sb2Te5
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Thermal Conductivity Spectroscopy Technique to Measure Phonon Mean Free Paths
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Role of Lone-Pair Electrons in Producing Minimum Thermal Conductivity in Nitrogen-Group Chalcogenide Compounds
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Determining Phonon Mean Free Paths from Observations of Quasiballistic Thermal Transport
inferredcites →https://doi.org/10.1103/physrevlett.111.025901openalex-snapshot
First-Principles Determination of Ultrahigh Thermal Conductivity of Boron Arsenide: A Competitor for Diamond?
inferredcites →https://doi.org/10.1103/physrevlett.125.045701openalex-snapshot
Anharmonicity and Ultralow Thermal Conductivity in Lead-Free Halide Double Perovskites
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Generalized Gradient Approximation Made Simple
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Efficient Hybrid Solar Cells Based on Meso-Superstructured Organometal Halide Perovskites
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Two-channel model for ultralow thermal conductivity of crystalline Tl 3 VSe 4
inferredcites →https://doi.org/10.1143/jpsj.66.1508openalex-snapshot
Dielectric Studies on CH3NH3PbX3(X = Cl and Br) Single Cystals
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Ligand-Hole in [SnI6] Unit and Origin of Band Gap in Photovoltaic Perovskite Variant Cs2SnI6
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Über Hexaiodoplatinate(IV) M2PtI6 (M = K, Rb, Cs, NH4, Tl) Darstellungsverfahren, Eigenschaften und Kristallstrukturen / On Hexaiodoplatinates(IV) M2PtI6 (M = K, Rb, Cs, NH4, Tl) -Preparation, Properties and Structural Data
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Thermoelectric Materials, Phenomena, and Applications: A Bird's Eye View

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inferred← citeshttps://doi.org/10.1016/j.jpcs.2022.110984openalex-snapshot
Frist principle study of double perovskites Cs2AgSbX6 (X = Cl, Br, I) for solar cell and renewable energy applications
inferred← citeshttps://doi.org/10.1016/j.jpcs.2022.111184openalex-snapshot
Tuning of band gap by variation of halide ions in K2CuSbX6 (X = Cl, Br, I) for solar cells and thermoelectric applications
inferred← citeshttps://doi.org/10.1016/j.jpcs.2024.112097openalex-snapshot
Investigation of structural, electronic, optical and thermoelectric properties of hallide double perovskite Rb2AlAgX6 (X = Cl, I): A first-principles DFT study
inferred← citeshttps://doi.org/10.1016/j.jpcs.2024.112171openalex-snapshot
Theoretical investigations of double perovskites Rb2YCuX6 (X =Cl, F) for green energy applications: DFT study
inferred← citeshttps://doi.org/10.1016/j.jpcs.2024.112298openalex-snapshot
Prediction of X2AuYZ6 (X = Cs, Rb; Z = Cl, Br, I) double halide perovskites for photovoltaic and wasted heat management device applications
inferred← citeshttps://doi.org/10.1016/j.jpcs.2025.113039openalex-snapshot
Study of optoelectronic, thermoelectric, mechanical, and thermodynamic aspects of double perovskites Cs2AgAlX6 (X = Br, I) for energy applications
inferred← citeshttps://doi.org/10.1016/j.jpcs.2025.113247openalex-snapshot
First-principles study of electronic, optical, and transport characteristics of double perovskites Tl2XI6 (X = Se, Te) for renewable energy applications
inferred← citeshttps://doi.org/10.1016/j.jpcs.2026.113886openalex-snapshot
Large transverse thermoelectric performance in half-metallic ferrimagnetic double perovskite Sr2CrReO6
inferred← citeshttps://doi.org/10.1016/j.jpcs.2026.113997openalex-snapshot
B-site selective doping in Ba2Ca1-xLaxMoO6-δ: Synergistic optimization of phonons and electrons for thermoelectrics
inferred← citeshttps://doi.org/10.1016/j.jssc.2021.122294openalex-snapshot
First-principles study of lead-free double perovskites K2Pt(Cl/Br)6 for optoelectronic and renewable energy applications
inferred← citeshttps://doi.org/10.1016/j.jssc.2021.122602openalex-snapshot
Exploring the electronic and optical properties of vacancy-ordered double perovskites Cs2PtX6 (X = Cl, Br, I)
inferred← citeshttps://doi.org/10.1016/j.jssc.2021.122714openalex-snapshot
The effect of the A-site cation on the stability and physical properties of vacancy-ordered double perovskites A2PtI6 (A = Tl, K, Rb, and Cs)
inferred← citeshttps://doi.org/10.1016/j.jssc.2021.122781openalex-snapshot
Ab-initio study of lead-free double Perovskites Cs2AgZBr6 (Z = Bi, Sb) for Solar cells and other renewable energy applications
inferred← citeshttps://doi.org/10.1016/j.jssc.2022.122887openalex-snapshot
Study of new lead-free double perovskites halides Tl2TiX6 (X = Cl, Br, I) for solar cells and renewable energy devices
inferred← citeshttps://doi.org/10.1016/j.jssc.2022.123015openalex-snapshot
Study of vacancy ordered double perovskites In2PtX6 (X = Cl, Br, I) for solar cells and renewable energy, alternative of hybrid perovskites
inferred← citeshttps://doi.org/10.1016/j.jssc.2022.123179openalex-snapshot
Investigation of electronic, optical and thermoelectric features of X2ScAgCl6 (X=K, Na) double perovskites for renewable energy applications
inferred← citeshttps://doi.org/10.1016/j.jssc.2022.123353openalex-snapshot
DFT study of double perovskites Cs2AgBiX6 (X = Cl, Br): An alternative of hybrid perovskites
inferred← citeshttps://doi.org/10.1016/j.jssc.2022.123820openalex-snapshot
Tuning of band gap by anion variation of double perovskites K2AgInX6 (X = Cl, Br) for solar cells and thermoelectric applications
inferred← citeshttps://doi.org/10.1016/j.jssc.2023.124003openalex-snapshot
Study of mechanical, optical and transport aspirants of double perovskites Cs2XInI6 (X = Li, Na) for solar cells and clean energy applications
inferred← citeshttps://doi.org/10.1016/j.jssc.2024.124976openalex-snapshot
A theoretical investigation on the structure stability, electronic structures, optical properties, and transport properties of Zintl compounds CsZn4P3 and CsZn4As3
inferred← citeshttps://doi.org/10.1016/j.matchemphys.2021.124876openalex-snapshot
New lead-free double perovskites (Rb2GeCl/Br)6; a promising materials for renewable energy applications
inferred← citeshttps://doi.org/10.1016/j.matchemphys.2022.125801openalex-snapshot
Study of half metallic ferromagnetism and, transport properties of Cd0.875TM0.125O (TM = Mn, Fe, Co, Ni) alloys for spintronic applications
inferred← citeshttps://doi.org/10.1016/j.matchemphys.2022.126414openalex-snapshot
Impact of 5d electrons on half metallic ferromagnetism, and thermoelectric properties of Cs2Z(Cl/Br)6 (Z = Os, Ir) for spintronic applications
inferred← citeshttps://doi.org/10.1016/j.matchemphys.2022.127190openalex-snapshot
Role of lattice thermal conductivity in thermoelectric properties of chalcopyrite-type antimonides XSiSb2 (X = Mg, Be): A DFT insight
inferred← citeshttps://doi.org/10.1016/j.matchemphys.2023.128643openalex-snapshot
Role of 4d electrons in room temperature ferromagnetism, and thermoelectric properties of Sr2CrXO6 (X = Nb, Mo) for spintronic applications
inferred← citeshttps://doi.org/10.1016/j.matdes.2026.115962openalex-snapshot
Design and optimization of lead-free double-absorber perovskite solar cells using Cs2PtI6 and Cs2TiI6
inferred← citeshttps://doi.org/10.1016/j.mseb.2021.115064openalex-snapshot
First-principles study of lead-free double perovskites Rb2TeX6 (X = Cl, Br, and I) for solar cells and renewable energy
inferred← citeshttps://doi.org/10.1016/j.mseb.2022.116088openalex-snapshot
Tunning of band gap of double perovskites halides Rb2CuSbX6 (X = Cl, Br, I) for solar cells and energy harvesting
inferred← citeshttps://doi.org/10.1016/j.mseb.2023.116768openalex-snapshot
First-principles calculations to investigate mechanical, thermoelectric and optical performance of inorganic double perovskites Rb2CuBiX6 (X = Cl, Br, I) for energy harvesting
inferred← citeshttps://doi.org/10.1016/j.mseb.2023.116851openalex-snapshot
The study optical, thermoelectric, and thermodynamic properties of double perovskites K2CuBiX6 (X = Cl, Br, I) for energy harvesting
inferred← citeshttps://doi.org/10.1016/j.mseb.2024.117728openalex-snapshot
Band structure engineering to improve the optical and thermoelectric properties of Rb2AgXBr6 (X=Al, In, Ga) for energy applications within DFT framework
inferred← citeshttps://doi.org/10.1016/j.mseb.2025.118134openalex-snapshot
Mechanical, optoelectronic, and transport characteristics of stable halide double perovskites K2TlSbY6 (Y = Cl, Br, and I): First principles approach
inferred← citeshttps://doi.org/10.1016/j.mssp.2021.105728openalex-snapshot
Defective perovskites Cs2SeCl6 and Cs2TeCl6 as novel high temperature potential thermoelectric materials
inferred← citeshttps://doi.org/10.1016/j.mssp.2021.106180openalex-snapshot
Study of lead-free double perovskites halides Cs2TiCl6, and Cs2TiBr6 for optoelectronics, and thermoelectric applications
inferred← citeshttps://doi.org/10.1016/j.mssp.2021.106229openalex-snapshot
The study of electronics, optoelectronics, thermoelectric, and mechanical properties of Zn/CdSnO3 perovskites
inferred← citeshttps://doi.org/10.1016/j.mssp.2022.106642openalex-snapshot
Lead-free vacancy ordered double perovskites In2Pd (Br/I)6 for solar cells, and thermoelectric applications
inferred← citeshttps://doi.org/10.1016/j.mssp.2022.106759openalex-snapshot
First principle study of optoelectronic and thermoelectric properties of (Cs/Rb) AuI3 for clean energy
inferred← citeshttps://doi.org/10.1016/j.mssp.2022.106947openalex-snapshot
First-principles investigations of Na2CuMCl6 (M = Bi, Sb) double perovskite semiconductors: Materials for green technology
inferred← citeshttps://doi.org/10.1016/j.mssp.2022.107251openalex-snapshot
Study of double perovskites In2Ti(Br/I)6 for solar cells, and renewable energy; Alternative of hybrid perovskites
inferred← citeshttps://doi.org/10.1016/j.mssp.2023.107513openalex-snapshot
Efficacy of pyrostilpnite (Ag3SbS3) mineral as thermoelectric material: A first principles study
inferred← citeshttps://doi.org/10.1016/j.mssp.2023.107910openalex-snapshot
First principles insight on mechanical stability, optical and thermoelectric response of novel lead-free Rb2ScCuBr6 and Cs2ScCuBr6 double perovskites
inferred← citeshttps://doi.org/10.1016/j.mssp.2024.108911openalex-snapshot
Structural stability, optoelectronic, thermoelectric, and elastic characteristics of X2ScBiO6 (X= Mg, Ca, and Ba) double perovskites for energy harvesting: First-principles analysis
inferred← citeshttps://doi.org/10.1016/j.mssp.2024.109251openalex-snapshot
An ab initio study on semiconducting half Heusler alloys TiAgZ (Z=Al, Ga, In) for thermoelectric and optoelectronic applications
inferred← citeshttps://doi.org/10.1016/j.mtchem.2026.103851openalex-snapshot
Synergistic approach using DFT insights and SCAPS-1D simulations to unlock the photovoltaic potential of Cs2SnBr6-Based solar cell
inferred← citeshttps://doi.org/10.1016/j.mtcomm.2022.104083openalex-snapshot
Study of optical and thermoelectric properties of double perovskites Cs2KTlX6 (X = Cl, Br, I) for solar cell and energy harvesting
inferred← citeshttps://doi.org/10.1016/j.mtcomm.2022.105166openalex-snapshot
Modifying electronic bandgap by halide ions substitution to investigate double perovskites Rb2AgInX6 (X = Cl, Br, I) for solar cells applications and thermoelectric characteristics
inferred← citeshttps://doi.org/10.1016/j.mtcomm.2023.106451openalex-snapshot
Opto-electronic and thermoelectric properties of XMgY (X=Li, Na; Y=Al, Ga) alloys: GGA and SCAN based approaches
inferred← citeshttps://doi.org/10.1016/j.mtcomm.2024.108840openalex-snapshot
Optoelectronic and thermoelectric properties of Cs2PtX6 (X=Cl, Br, I) for energy conversion applications: DFT calculations
inferred← citeshttps://doi.org/10.1016/j.mtcomm.2026.114620openalex-snapshot
Mechanical, optoelectronic and thermoelectric response of oxide double perovskites Ca2VXO6 (X = In, Tl) for sustainable energy application
inferred← citeshttps://doi.org/10.1016/j.mtphys.2026.102190openalex-snapshot
High thermoelectric performance via stacking-controlled symmetry breaking in layered AZnBi (A = Rb, Cs) Zintl materials
inferred← citeshttps://doi.org/10.1016/j.nxmate.2025.101295openalex-snapshot
Computational study of nontoxic Cs2PtI₆ double perovskite as a lead-free photovoltaic absorber
inferred← citeshttps://doi.org/10.1016/j.optmat.2021.111323openalex-snapshot
Structural, electronic, and optical properties of Pt-based vacancy-ordered double perovskites A2PtX6 (A = K, Rb, Cs; X = Cl, Br, I) in tetragonal P4/mnc polymorph
inferred← citeshttps://doi.org/10.1016/j.physb.2022.414235openalex-snapshot
The fundamental physical properties of Cs2PtI6 and (CH3NH3)2PtI6
inferred← citeshttps://doi.org/10.1016/j.physb.2023.415242openalex-snapshot
First-principles calculations to investigate optoelectronic, thermoelectric and elastic properties of novel lead-free halide perovskites CsRbPtX6 (X = Cl, Br and I) compounds for solar cells applications
inferred← citeshttps://doi.org/10.1016/j.physb.2024.416356openalex-snapshot
First principle investigation of structural, optoelectronic and thermoelectric properties of lead-free Cs2AgAuX6 (X= Br, I) for energy harvesting applications
inferred← citeshttps://doi.org/10.1016/j.physb.2026.418844openalex-snapshot
Investigation of half metallic ferromagnetism, and thermoelectric aspect of rare earth chalcogenides BaCe2X4 (X = S, Se, Te) for spintronic applications
inferred← citeshttps://doi.org/10.1016/j.physleta.2025.130280openalex-snapshot
Typical thermoelectric materials: Progress and prospects
inferred← citeshttps://doi.org/10.1016/j.poly.2022.116217openalex-snapshot
Effect of pressure on structural, electronic dispersion relations, optical and thermoelectric properties of CsNbO3 perovskite for photovoltaic and energy applications
inferred← citeshttps://doi.org/10.1016/j.poly.2025.117822openalex-snapshot
Comprehensive first-principles investigation of electronic, optical, thermoelectric, and mechanical properties of Cs₂ZAuF₆ (Z = In, Tl) double perovskites for sustainable energy conversion
inferred← citeshttps://doi.org/10.1016/j.rinp.2024.107751openalex-snapshot
An extensive study on charge transport layers to design and optimization of high-efficiency lead-free Cs2PtI6-based double-perovskite solar cells: A numerical simulation approach
inferred← citeshttps://doi.org/10.1016/j.scriptamat.2022.115061openalex-snapshot
Crystalline-liquid duality of specific heat in halide perovskite semiconductor
inferred← citeshttps://doi.org/10.1016/j.solener.2022.05.018openalex-snapshot
Tuning of the electronic bandgap of lead-free double perovskites K2AgBiX6 (X = Cl, Br) for solar cells applications and their thermoelectric characteristics
inferred← citeshttps://doi.org/10.1016/j.solener.2024.112863openalex-snapshot
Study of phase Stability, Optical, and thermoelectric properties of antiperovskites X3GeO (X=Ca, Sr, Ba) for solar cells and energy harvesting
inferred← citeshttps://doi.org/10.1016/j.solener.2025.113737openalex-snapshot
Investigation of the optical and electronic properties of double perovskite Li2CuBiX6 (X = Br, I) for photovoltaic applications using first-principles and machine learning approaches
inferred← citeshttps://doi.org/10.1016/j.solmat.2025.113430openalex-snapshot
A computational examination of lead free Cs2PtI6 based perovskite solar cell with investigation of several carrier transport materials
inferred← citeshttps://doi.org/10.1016/j.ssc.2021.114633openalex-snapshot
Physical properties of double perovskites Rb2XCl6 (X= Sn, Te, Zr): Competitive candidates for renewable energy devices
inferred← citeshttps://doi.org/10.1016/j.ssc.2023.115228openalex-snapshot
Rb2PtX6 (X=I, Br, Cl) vacancy-ordered double perovskites: Effect of halogens on the structural, electronic, and optical properties
inferred← citeshttps://doi.org/10.1016/j.ssc.2023.115399openalex-snapshot
Thermoelectric properties of M 2 AgAlBr 6 (M = K, Rb, Cs) double perovskites: A first principles study
inferred← citeshttps://doi.org/10.1016/j.ssc.2025.116130openalex-snapshot
Thermoelectric and photovoltaic properties of promising KMgAs and KMgSb alloys for energy conversion
inferred← citeshttps://doi.org/10.1016/j.ssc.2026.116611openalex-snapshot
First-principles study of electronic, optical, thermoelectric, mechanical, and thermodynamic behavior of double perovskites A2CuGaCl6 (A= alkali metals)
inferred← citeshttps://doi.org/10.1016/j.vacuum.2023.112926openalex-snapshot
DFT aided prediction of phase stability, optoelectronic and thermoelectric properties of A2AuScX6 (A= Cs, Rb; X= Cl, Br, I) double perovskites for energy harvesting technology
inferred← citeshttps://doi.org/10.1021/acs.chemmater.2c00084openalex-snapshot
Intrinsically Low Thermal Conductivity in the n-Type Vacancy-Ordered Double Perovskite Cs 2 SnI 6 : Octahedral Rotation and Anharmonic Rattling
inferred← citeshttps://doi.org/10.1021/acs.chemmater.2c03221openalex-snapshot
B-Site Columnar-Ordered Halide Double Perovskites: Breaking Octahedra Motions Induces Strong Lattice Anharmonicity and Thermal Anisotropy
inferred← citeshttps://doi.org/10.1021/acs.chemmater.3c01907openalex-snapshot
Anomalous Thermal Conductivity and High Thermoelectric Performance of Cubic Antiperovskites K3IX(Se & Te)
inferred← citeshttps://doi.org/10.1021/acs.energyfuels.2c00341openalex-snapshot
Understanding the Electronic Structure and Optical Properties of Vacancy-Ordered Double Perovskite A 2 BX 6 for Optoelectronic Applications
inferred← citeshttps://doi.org/10.1021/acs.jpcc.6c01855openalex-snapshot
Distorted Polyhedral Architecture Enabled High Thermoelectric Performance of Columnar Double Halide Perovskites Cs 2 AgPdCl 5 and Cs 2 AgPtCl 5
inferred← citeshttps://doi.org/10.1021/acs.jpclett.2c02350openalex-snapshot
Physical Insights on the Thermoelectric Performance of Cs2SnBr6 with Ultralow Lattice Thermal Conductivity
inferred← citeshttps://doi.org/10.1021/acs.jpclett.2c02852openalex-snapshot
Vacancy-Ordered Double Perovskites Cs2BI6 (B = Pt, Pd, Te, Sn): An Emerging Class of Thermoelectric Materials
inferred← citeshttps://doi.org/10.1021/acs.jpclett.5c02208openalex-snapshot
Weak Host Interactions Induced Thermal Transport Properties of Metal Halide Perovskites Deviating from the Rattling Model
inferred← citeshttps://doi.org/10.1021/acs.jpclett.5c04029openalex-snapshot
Synergistic Lattice Softening and Polaron Engineering in Cu 2+ -Doped Cs 2 SnCl 6 : Decoupling Thermal and Electrical Transport for Enhanced Thermoelectric Performance
inferred← citeshttps://doi.org/10.1021/acsaelm.1c00963openalex-snapshot
Photothermally Enhanced Photoresponse of Bismuth Halide Perovskite by Phonon Scattering
inferred← citeshttps://doi.org/10.1021/acsaelm.2c00725openalex-snapshot
Virtual Special Issue: Halide Perovskite Materials and Applications
inferred← citeshttps://doi.org/10.1021/acsaem.0c03043openalex-snapshot
Outstanding Thermoelectric Performance of MCu3X4 (M = V, Nb, Ta; X = S, Se, Te) with Unaffected Band Degeneracy under Pressure
inferred← citeshttps://doi.org/10.1021/acsaem.2c00742openalex-snapshot
The Abnormally Excellent Figure of Merit of 14,14,18-Graphyne at Room Temperature: A Study on the Thermoelectric Characteristic of Graphyne
inferred← citeshttps://doi.org/10.1021/acsaem.2c01705openalex-snapshot
Virtual Special Issue: Halide Perovskite Materials and Applications
inferred← citeshttps://doi.org/10.1021/acsaem.3c01249openalex-snapshot
Chemical Vapor Deposition Growth of Highly Stable Cs 2 AgBiBr 6 Double Perovskite Thin Films and Their Ultralow Thermal Conductivity and Fast Photoresponse
inferred← citeshttps://doi.org/10.1021/acsaem.5c01765openalex-snapshot
Soft Phonon Mode-Driven High Thermoelectric Figure of Merit in Two-Dimensional MX3 (M = Ca, Ba, and X = P, As)
inferred← citeshttps://doi.org/10.1021/acsenergylett.2c00811openalex-snapshot
Halide Double-Perovskite Semiconductors beyond Photovoltaics
inferred← citeshttps://doi.org/10.1021/acsomega.2c05928openalex-snapshot
First-Principles Investigations of Thermoelectric Behavior of RuCrX (X = Si, Ge, Sn)
inferred← citeshttps://doi.org/10.1021/acsomega.5c05269openalex-snapshot
First-Principles Study of Lead-Free Double Perovskites Rb 2 SiX 6 (X = Cl, Br, and I) for Solar Cell Applications
inferred← citeshttps://doi.org/10.1021/jacs.1c11887openalex-snapshot
High-Throughput Screening of Rattling-Induced Ultralow Lattice Thermal Conductivity in Semiconductors
inferred← citeshttps://doi.org/10.1038/s41467-022-35122-7openalex-snapshot
A universal all-solid synthesis for high throughput production of halide perovskite
inferred← citeshttps://doi.org/10.1039/d1cp01967hopenalex-snapshot
The impact of electron–phonon coupling on the figure of merit of Nb 2 SiTe 4 and Nb 2 GeTe 4 ternary monolayers
inferred← citeshttps://doi.org/10.1039/d1cp04657hopenalex-snapshot
Ultralow lattice thermal conductivity at room temperature in 2D KCuSe from first-principles calculations
inferred← citeshttps://doi.org/10.1039/d1ra01938dopenalex-snapshot
First-principles predictions of low lattice thermal conductivity and high thermoelectric performance of AZnSb (A = Rb, Cs)
inferred← citeshttps://doi.org/10.1039/d2tc02448aopenalex-snapshot
Recent advances in designing thermoelectric materials
inferred← citeshttps://doi.org/10.1039/d3ra02398bopenalex-snapshot
Pressure-dependent physical properties of cesium–niobium oxide: a comprehensive study
inferred← citeshttps://doi.org/10.1039/d3ra04192aopenalex-snapshot
First-principle computation of some physical properties of half-Heusler compounds for possible thermoelectric applications
inferred← citeshttps://doi.org/10.1039/d3ta04338jopenalex-snapshot
Remarkable thermoelectric efficiency of cubic antiperovskites Rb 3 X(Se & Te)I with strong anharmonicity
inferred← citeshttps://doi.org/10.1039/d3ta07747kopenalex-snapshot
Unlocking the potential of coinage-based quaternary chalcogenides for thermoelectricity
inferred← citeshttps://doi.org/10.1039/d4cp02005gopenalex-snapshot
Intrinsic ultralow lattice thermal conductivity in lead-free halide perovskites Cs 3 Bi 2 X 9 (X = Br, I)
inferred← citeshttps://doi.org/10.1039/d4cp02117gopenalex-snapshot
Excellent thermoelectric performance in alkali metal phosphides M 3 P (M = Na and K) with phonon-glass electron-crystal like behaviour
inferred← citeshttps://doi.org/10.1039/d4dd00286eopenalex-snapshot
Machine learning for accelerated prediction of lattice thermal conductivity at arbitrary temperature
inferred← citeshttps://doi.org/10.1039/d4ra00754aopenalex-snapshot
Physical properties of ferromagnetic Mn-doped double perovskites (DPs) Cs 2 AgInCl/Br 6 for spintronics and solar cell devices: DFT calculations
inferred← citeshttps://doi.org/10.1039/d4ra07969hopenalex-snapshot
First principles study of double perovskites Li 2 AgAsX 6 (X = Cl, Br, I) for optoelectronic and thermoelectric applications
inferred← citeshttps://doi.org/10.1039/d5cp03286eopenalex-snapshot
van der Waals heterostructure PtS 2 /MoSi 2 P 4 for advanced thermoelectric and photovoltaic applications
inferred← citeshttps://doi.org/10.1039/d5nj01718aopenalex-snapshot
First-principles investigation of electronic, magnetic and optical properties of double perovskite oxides Ba2NiYO6 (Y = Pd, Pt)
inferred← citeshttps://doi.org/10.1039/d5tc02809dopenalex-snapshot
Glassy ultralow thermal conductivity in Cs 2 TiX 6 (X = Cl, Br, I) arises from bond weakening
inferred← citeshttps://doi.org/10.1039/d6ra00090hopenalex-snapshot
Na 2 Cu 2 TeO 6 : a potential material for high solar cell efficiency and superior energy-harvesting performance
inferred← citeshttps://doi.org/10.1039/d6ra01068gopenalex-snapshot
Ultra low thermal conductivity, giant figure of merit of 1.61, and high absorption in CsKTiCl 6 : a potential material from a transport and optoelectronic perspective
inferred← citeshttps://doi.org/10.1039/d6ra01242fopenalex-snapshot
Symmetry-dependent electronic reconstruction and intrinsic ultraviolet response in Sr 2 B′B″O 6 (B′ = Ti, Zr; B″ = Sn, Ge) double perovskite oxides: a first-principles study
inferred← citeshttps://doi.org/10.1039/d6ra02174copenalex-snapshot
First-principles insights into magneto-electronic and thermoelectric correlations in Fe- and Mn-doped Cs 2 SnI 6 vacancy-ordered double perovskites
inferred← citeshttps://doi.org/10.1039/d6ra04501dopenalex-snapshot
Comprehensive insights into thermodynamic stability, optoelectronic properties, thermoelectric properties, and photocatalytic hydrogen evolution potential of halide double perovskites Rb 2 TlAlX 6 (X = Cl, Br, I): first-principles and AIMD approach
inferred← citeshttps://doi.org/10.1039/d6ta02419jopenalex-snapshot
Ultra-low lattice thermal conductivity in half-metallic RaFeX 3 (X= Cl, Br, I) perovskites: anharmonic lattice dynamics for efficient spin-caloritronics
inferred← citeshttps://doi.org/10.1063/5.0159407openalex-snapshot
Pyrovskite: A software package for the high-throughput construction, analysis, and featurization of two- and three-dimensional perovskite systems
inferred← citeshttps://doi.org/10.1063/5.0217146openalex-snapshot
Compressive strain-induced enhancement of thermoelectric performance in lead-free halide double perovskites K2SnX6 (X = I, Br, Cl)
inferred← citeshttps://doi.org/10.1088/0256-307x/42/8/080703openalex-snapshot
Bonding Hierarchy and Phonon Coherence Enhanced Ultralow Lattice Thermal Conductivity and Excellent Thermoelectric Properties in Cs 2 TeI 6
inferred← citeshttps://doi.org/10.1088/1402-4896/abfba8openalex-snapshot
Theoretical investigations of optoelectronic and thermoelectric properties of halide based double perovskite halides: K 2 TeX 6
inferred← citeshttps://doi.org/10.1088/1402-4896/ac0187openalex-snapshot
Study of half metallic ferromagnetism, transport and mechanical properties of X 0.9375 Ti 0.0625 Te (X = Ca, Sr, and Ba) alloys: for spintronics application
inferred← citeshttps://doi.org/10.1088/1402-4896/ac5af5openalex-snapshot
First-principles study of ferromagnetic, optical, and transport properties of double Perovskites Z2FeTiO6 (Z = Mg, Zn)
inferred← citeshttps://doi.org/10.1088/1402-4896/ac9be5openalex-snapshot
Study of new double perovskites Tl2PtX6 (X = Cl, Br, I) for solar cells and thermoelectric applications
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