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Naji, M. |
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Motta, Antonella |
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Aletan, Dirar |
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Mohamed, Tarek |
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Ertürk, Emre |
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Taccardi, Nicola |
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Kononenko, Denys |
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Petrov, R. H. | Madrid |
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Alshaaer, Mazen | Brussels |
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Bih, L. |
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Casati, R. |
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Muller, Hermance |
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Kočí, Jan | Prague |
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Šuljagić, Marija |
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Kalteremidou, Kalliopi-Artemi | Brussels |
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Azam, Siraj |
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Ospanova, Alyiya |
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Blanpain, Bart |
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Ali, M. A. |
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Popa, V. |
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Rančić, M. |
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Ollier, Nadège |
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Azevedo, Nuno Monteiro |
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Landes, Michael |
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Rignanese, Gian-Marco |
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Even, Jacky
in Cooperation with on an Cooperation-Score of 37%
Topics
Publications (180/180 displayed)
- 2024Structural Evolution and Photoluminescence Quenching across the FASnI3–xBrx (x = 0–3) Perovskitescitations
- 2024Superabsorption in CsPbBr3 Perovskite Quantum Dots
- 2024Ligand Driven Control and F‐Doping of Surface Characteristics in FASnI$_3$ Lead‐Free Perovskites: Relation Between Molecular Dipoles, Surface Dipoles, Work Function Shifts, and Surface Strain
- 2024Polaronic Mass Enhancement and Polaronic Excitons in Metal Halide Perovskitescitations
- 2024The role of the organic cation in developing efficient green perovskite LEDs based on quasi‐2D perovskite heterostructurescitations
- 2024Extending tight-binding models from bulk to layered halide perovskites
- 2024Exciton fine structure and coupling to the lattice dynamics
- 2023Chemical Behavior and Local Structure of the Ruddlesden−Popper and Dion−Jacobson Alloyed Pb/Sn Bromide 2D Perovskitescitations
- 20232D/3D bilayers for stable solar cells
- 2023Universal scaling laws for charge-carrier interactions with quantum confinement in lead-halide perovskitescitations
- 2023Ultimate 2D Perovskite-FA DJ 2D Perovskites with Maximum Symmetry
- 2023Halide Containing Short Organic Monocations in n = 1–4 2D Multilayered Halide Perovskite Thin Films and Crystalscitations
- 2023Intrinsic formamidinium tin iodide nanocrystals by suppressing the Sn(IV) impurities
- 2023Ultrafast relaxation of lattice distortion in two-dimensional perovskitescitations
- 2023Synergy of 3D and 2D Perovskites for Durable, Efficient Solar Cells and Beyondcitations
- 2023Bright circularly polarized photoluminescence in chiral layered hybrid lead-halide perovskitescitations
- 2023Bright circularly polarized photoluminescence in chiral layered hybrid lead-halide perovskitescitations
- 2023Insight into some open questions for 3D/2D/0D halide perovskites
- 2023Halide perovskites: a new class of semiconductors for low-cost photovoltaics (and optoelectronics
- 2023Photoluminescence and spin selectivity in chiral layered halide perovskites
- 2023Novel 3D Cubic Topology in Hybrid Lead Halides with a Symmetric Aromatic Triammonium Exhibiting Water Stability
- 2023Chirality Versus Symmetry: Electron's Spin Selectivity in Non‐Polar Chiral Lead‐Bromide Perovskitescitations
- 2023Interfacial engineering to modulate surface dipoles, work functions and dielectric confinement of halide perovskitescitations
- 2023The Role of the Organic Cation in Developing Efficient Green Perovskite LEDs Based on Quasi‐2D Perovskite Heterostructurescitations
- 2023Physical properties of 2D multilayered perovskites and 2D/3D bilayers
- 2023Photovoltaic and excitonic properties of novel perovskite-like materials.
- 2023Fine Structure of Excitons in Vacancy-Ordered Halide Double Perovskitescitations
- 2023Structural and optoelectronic properties of 2D multilayered perovskites and 2D/3D bilayers for photovoltaics
- 2023Chirality-induced spin selectivity and chiroptical properties in layered halide perovskites
- 2022Tolerance Factor for Stabilizing 3D Hybrid Halide Perovskitoids Using Linear Diammonium Cationscitations
- 2022Many-body calculations for perovskite nanocrystals
- 2022Surfaces/interfaces in atomic-scale semiconductor devices: structural and electronic properties of Pb-free perovskites and charge transport materials.
- 2022Recent results on metal halide perovskites and their interfaces*
- 2022Influence of surface termination on the structural and electronic properties at the Pb-free perovskite/charge transport material interfaces
- 2022Intrinsic formamidinium tin iodide nanocrystals by suppressing the Sn(IV) impurities
- 2022Antiphase boundaries in III-V semiconductors: Atomic configurations, band structures, and Fermi levelscitations
- 2022Non-Equilibrium Lattice Dynamics in Photo-Excited Two-Dimensional Perovskitescitations
- 2022Pb-free halide perovskites for solar cells, light-emitting diodes, and photocatalystscitations
- 2022Atomistic studies of surface and interface properties in lead-free halide perovskite semiconductor devices
- 2022A theoretical framework for microscopic surface and interface dipoles, work functions and valence band alignments in 2D and 3D halide perovskite heterostructurescitations
- 2022Thick-Layer Lead Iodide Perovskites with Bifunctional Organic Spacers Allylammonium and Iodopropylammonium Exhibiting Trap-State Emissioncitations
- 2022Metal halide perovskites and their interfaces: current issues and recent advances
- 2022Tuning the properties of multilayered perovskites and their interfaces for optoelectronic applications
- 2022Short Aromatic Diammonium Ions Modulate Distortions in 2D Lead Bromide Perovskites for Tunable White-Light Emissioncitations
- 2021Memory Seeds Enable High Structural Phase Purity in 2D Perovskite Films for High‐Efficiency Devicescitations
- 2021Memory Seeds Enable High Structural Phase Purity in 2D Perovskite Films for High‐Efficiency Devicescitations
- 2021III-V/Si antiphase boundaries used as 2D-semimetallic topological vertical inclusions for solar hydrogen production
- 2021Microscopic connection between absolute valence energy alignment and surface dipoles in halide perovskite heterostructures
- 2021Interplay between structural and electronic properties at Pb-free perovskite/electron transport material interfaces
- 2021Highly efficient photoelectric effect in halide perovskites for regenerative electron sourcescitations
- 2021Perovskite semiconductors: current challenges for predictive atomistic and device simulation
- 2021Electronic Structure and Optical Properties of Mixed Iodine/Bromine Lead Perovskites. To Mix or Not to Mix?citations
- 2021Tetrazine-incorporating layered halide perovskites featuring type II electronic interface: a small cation with several optical and electronic resonances
- 2021A theoretical perspective on the electronic and optical properties of layered halide perovskites:Symmetry analysis of quantum-well electronic structure and charge/energy transfer processes beyond thequantum-well picture
- 2021Shedding Light on the Stability and Structure–Property Relationships of Two-Dimensional Hybrid Lead Bromide Perovskitescitations
- 2021Interstitial Nature of Mn 2+ Doping in 2D Perovskitescitations
- 2021Towards lead-free perovskite device architectures: interface simulations of tin-based heterostructures
- 2020Semiconductor physics of organic–inorganic 2D halide perovskitescitations
- 2020Understanding the electronic structure of deficient hybrid metal halide perovskite frames
- 2020Insight into Layered and Deficient Metal Halide Perovskites from First Principles and Symmetry
- 2020Negative Thermal Quenching in FASnI3 Perovskite Single Crystals and Thin Filmscitations
- 2020Cation Engineering in Two-Dimensional Ruddlesden-Popper Lead Iodide Perovskites with Mixed Large A-Site Cations in the Cagescitations
- 2020Three-dimensional Lead Iodide Perovskitoid Hybrids with High X-ray Photoresponsecitations
- 2020Effects of Chlorine Mixing on Optoelectronics, Ion-Migration and Gamma-ray Detection In Bromide Perovskitescitations
- 2020Using Time-Resolved Photoconductivity Measurements to Reveal the Urbach Tail and Two Photon Absorption in MHPs
- 2020Organic Cation Alloying on Intralayer A and Interlayer A’ sites in 2D Hybrid Dion-Jacobson Lead Bromide Perovskites (A’)(A)Pb2Br7citations
- 2020Physical properties of bulk, defective, 2D and 0D metal halide perovskite semiconductors from a symmetry perspectivecitations
- 2020Control of crystal symmetry breaking with halogen substituted benzylammonium in layered hybrid metal-halide perovskitescitations
- 2020Negative Pressure Engineering with Large Cage Cations in 2D Halide Perovskites Causes Lattice Softeningcitations
- 2020Water Stable 1D Hybrid Tin(II) Iodide Emits Broad Light with 36% Photoluminescence Quantum Efficiencycitations
- 2020Negative thermal quenching in FASnI 3 perovskite single crystals and thin filmscitations
- 2019Structural and thermodynamic limits of layer thickness in 2D halide perovskitescitations
- 2019Influence of Disorder and Anharmonic Fluctuations on the Dynamical Rashba Effect in Purely Inorganic Lead-Halide Perovskitescitations
- 2019Metal Halide Perovskites: A New Class of Semiconductors
- 2019Cation Alloying Delocalizes Polarons in Lead-halide Perovskitescitations
- 2019From bulk halide perovskite semiconductors to 3D nanocrystals and 2D layered compounds
- 2019The importance of relativistic effects on two-photon absorption spectra in metal halide perovskitescitations
- 2019The importance of relativistic effects on two-photon absorption spectra in metal halide perovskitescitations
- 2019Theoretical insight on quantum and dielectric confinement in metal-halide perovskites
- 2019Versatility of metal halide perovskites: insight from atomic scale modelling
- 2019The ground exciton state of formamidinium lead bromide perovskite nanocrystals is a singlet dark statecitations
- 2019Guanidinium and mixed cesium–guanidinium Tin(II) bromides: effects of quantum confinement and out-of-plane octahedral tiltingcitations
- 2019Versatility of Halide Perovskites: Insight From Atomic Scale Modelling
- 2019Quantum and Dielectric Confinement Effects in Lower-Dimensional Hybrid Perovskite Semiconductors ; Effets de confinements quantique et diélectrique dans les structures pérovskites hybrides de basse dimensionnalitécitations
- 2018Light-induced lattice expansion leads to high-efficiency perovskite solar cellscitations
- 2018Scaling law for excitons in 2D perovskite quantum wellscitations
- 2018Making and breaking of the exciton in layered halide hybrid perovskites
- 2018Elastic softness of hybrid lead halide perovskites
- 2018Elastic softness of hybrid lead halide perovskitescitations
- 2018Concept of Lattice Mismatch and Emergence of Surface States in Two-dimensional Hybrid Perovskite Quantum Wellscitations
- 2018Unraveling exciton–phonon coupling in individual FAPbI 3 nanocrystals emitting near-infrared single photonscitations
- 2018Two-Dimensional Halide Perovskites Incorporating Straight Chain Symmetric Diammonium Ions, (NH3CmH2mNH3)(CH3NH3)n−1PbnI3n+1 (m = 4–9; n = 1–4)citations
- 2018Strongly bound excitons in Ruddlesden-Popper 2D perovskites
- 2018Tight-Binding modeling of CsPbI3 in several perovskite phases
- 2018Transient simulation of halide perovskite-based solar cells with mobile ions and carriers
- 2018Critical Role of Interface and Crystallinity on the Performance and Photostability of Perovskite Solar Cell on Nickel Oxidecitations
- 2018High-performance, hysteresis free, ambipolar hybrid perovskite based field-effect transistors
- 2018Composite approach towards layered hybrid perovskites: Implications on band alignment and quantum and dielectric Confinements
- 2018Hybrid halide perovskites: a new semiconductor for photovoltaics and light emission
- 2018Design principles for electronic charge transport in solution-processed vertically stacked 2D perovskite quantum wellscitations
- 2018Composite Nature of Layered Hybrid Perovskites: Assessment on Quantum and Dielectric Confinements and Band Alignmentcitations
- 2018Influence of π -conjugated cations and halogen substitution on the optoelectronic and excitonic properties of layered hybrid perovskitescitations
- 2018Making and breaking the exciton in layered halide hybrid perovskites
- 2018Low-frequency Raman spectroscopy and elastic softness of hybrid lead halide perovskites
- 2018Composite approach for layered hybrid perovskites: band alignment, quantum and dielectric confinements
- 2018Halide perovskites: recent advances in optoelectronic properties from atomic scale modelling
- 2018Understanding Film Formation Morphology and Orientation in High Member 2D Ruddlesden-Popper Perovskites for High-Efficiency Solar Cellscitations
- 2018Unraveling exciton–phonon coupling in individual FAPbI3 nanocrystals emitting near-infrared single photonscitations
- 2018Anharmonicity and Disorder in the Black Phases of CsPbI3 used for Stable Inorganic Perovskite Solar Cellscitations
- 2018Stable Light-Emitting Diodes Using Phase-Pure Ruddlesden–Popper Layered Perovskitescitations
- 2018Ultrafast selective extraction of hot holes from cesium lead iodide perovskite filmscitations
- 2018Exciton photo-physics and dissociation in Ruddlesden-Popper 2D perovskites
- 2017Halide Perovskites: new high performance semiconductors
- 2017Optoelectronic properties of 2D Ruddlesden-Popper halide perovskite semiconductors
- 2017New Type of 2D Perovskites with Alternating Cations in the Interlayer Space, (C(NH 2 ) 3 )(CH 3 NH 3 ) n Pb n I 3 n +1 : Structure, Properties, and Photovoltaic Performancecitations
- 2017Tunable White-Light Emission in Single-Cation-Templated Three-Layered 2D Perovskites (CH3CH2NH3)(4)Pb3Br10-xClxcitations
- 2017Extremely efficient internal exciton dissociation through edge-states in layered 2D perovskites for high-efficiency optoelectronic devices
- 2017Direct correlation between crystallinity and photovoltaic performance and photo-stability of hybrid perovskite solar cells
- 2017Symmetry-Based Tight Binding Modeling of Halide Perovskite Semiconductors
- 2017Excitonic Emission and Electron-Phonon coupling in Organic-Inorganic Lead Iodide Perovskite single crystals
- 2017Structural Instabilities Related to Highly Anharmonic Phonons in Halide Perovskitescitations
- 2017Extremely efficient internal exciton dissociation through edge states in layered 2D perovskitescitations
- 2017Effect of Precursor Solution Aging on the Crystallinity and Photovoltaic Performance of Perovskite Solar Cellscitations
- 2017Physical properties of 3D and 2D Ruddlesden-Popper halide perovskite semiconductors
- 2017Electronic properties of bulk 3D, 2D Ruddlesden-Popper phases and colloidal quantum dots of halide perovskite semiconductors: recent results(Keynote Speaker)
- 2017Ultrafast optical snapshots of hybrid perovskites reveal the origin of multiband electronic transitionscitations
- 2017Insight from theory on optoelectronic properties of layered hybrid perovskites
- 2017Excitonic Emission and Electron-Phonon coupling in Organic-Inorganic Lead Iodide Perovskite single crystals
- 2017Tunable White-light Emission in Single Cation Templated Three-layered 2D Perovskites (CH3CH2NH3)4Pb3Br10-xClxcitations
- 2017High Members of the 2D Ruddlesden-Popper Halide Perovskites: Synthesis, Optical Properties, and Solar Cells of (CH3(CH2)3NH3)2(CH3NH3)4Pb5I16citations
- 2017Halide perovskites new high performance semiconductors
- 2017Direct correlation between cristallinity, structure and photovoltaic performance and photostability of hybrid perovskite devices
- 2016Polaron stabilization by cooperative lattice distortion and cation rotations in hybrid perovskite materialscitations
- 2016Narrow Linewidth Excitonic Emission in Organic-Inorganic Lead Iodide Perovskite Single Crystalscitations
- 2016Molecular disorder and translation/rotation coupling in the plastic crystal phase of hybrid perovskitescitations
- 2016Plastic crystal behavior, tight-binding modelling and low energy phonon spectroscopy in hybrid perovskites crystals
- 2016Dielectric properties of hybrid perovskites and drift-diffusion modeling of perovskite cellscitations
- 2016Correction: Interplay of spin–orbit coupling and lattice distortion in metal substituted 3D tri-chloride hybrid perovskitescitations
- 2016Tight binding modeling of halid perovskites
- 2016Theoretical insights into hybrid perovskites for photovoltaic applicationscitations
- 2016High-efficiency two-dimensional Ruddlesden–Popper perovskite solar cellscitations
- 2016Theoretical and experimental insights into hybrid perovskites for optoelectronic applications
- 2016Chapter 7: Electronic Properties of Metal Halide Perovskitescitations
- 2015Photophysics of Organic-Inorganic Hybrid Lead Iodide Perovskite Single Crystalscitations
- 2015Photophysics of Organic-Inorganic Hybrid Lead Iodide Perovskite Single Crystalscitations
- 2015Rashba and Dresselhaus Effects in Hybrid Organic-Inorganic Perovskites: From Basics to Devicescitations
- 2015A Solid State physics perspective on hybrid perovskites for photovoltaics and optoelectronics
- 2015Inside Front Cover: Hybrid Perovskites: Photophysics of Organic–Inorganic Hybrid Lead Iodide Perovskite Single Crystals (Adv. Funct. Mater. 16/2015)citations
- 2015Rashba and Dresselhaus Effects in Hybrid Organic-Inorganic Perovskites : From Basics to Devicescitations
- 2015Interplay of spin-orbit coupling and lattice distortion in metal substituted 3D tri-chloride hybrid perovskitescitations
- 2015Cover Picture: Hybrid perovskite electronic band structure from atomic orbitals, spin-orbit coupling, and exciton molecular screening (J. Phys. Chem. C May 14, 2015: Vol. 119, Iss. 19) ; Cover Picture: Hybrid perovskite electronic band structure from atomic orbitals, spin-orbit coupling, and exciton molecular screening (J. Phys. Chem. C May 14, 2015: Vol. 119, Iss. 19):
- 2015Solid-State Physics Perspective on Hybrid Perovskite Semiconductorscitations
- 2014Theoretical insights into multibandgap hybrid perovskites for photovoltaic applicationscitations
- 2014Cover Picture: Understanding Quantum Confinement of Charge Carriers in Layered 2D Hybrid Perovskites (ChemPhysChem 17/2014)
- 2014Density Functional Theory Simulations of Semiconductors for Photovoltaic Applications: Hybrid Organic-Inorganic Perovskites and III/V Heterostructurescitations
- 2014DFT and k * p modelling of the phase transitions of lead and tin halide perovskites for photovoltaic cellscitations
- 2014Understanding Quantum Confinement of Charge Carriers in Layered 2D Hybrid Perovskitescitations
- 2014Atomistic Modelling of Multibandgaps and Multivalleys Hybrid Perovskites for Photovoltaic Applications
- 2014Room Temperature Optically Tunability and Inhomogeneous Broadening in 2D-Layered Organic-Inorganic Perovskite Pseudobinary Alloys.citations
- 2014Analysis of Multivalley and Multibandgap Absorption and Enhancement of Free Carriers Related to Exciton Screening in Hybrid Perovskitescitations
- 2014Optical tunability and disorder induced effects in 2D-layered and 3D organic-inorganic perovskite pseudobinary alloys
- 2013Importance of Spin-Orbit Coupling in Hybrid Organic/Inorganic Perovskites for Photovoltaic Applicationscitations
- 2013Non-linear electro-elastic coupling in highly strained zinc-blende compounds: InGaP/GaP [111] quantum wells
- 2013Structural and optical properties of AlGaP confinement layers and InGaAs quantum dot light emitters onto GaP substrate: Towards photonics on silicon applications
- 2013Structural and optical properties of AlGaP confinement layers and InGaAs quantum dot light emitters onto GaP substrate: Towards photonics on silicon applications
- 2013Structural and optical properties of AlGaP confinement layers and InGaAs quantum dots light emitters onto GaP substrate: towards photonics on silicon applicationcitations
- 2013Electronic properties of 2D hybrid organic/inorganic perovskites for optoelectronic applicationscitations
- 2013Optical, microstructural, vibrational and theoretical studies of p-type SrCu2O2 and BaCu2O2 Transparent Conductive Oxides
- 2012Hybrid organic/perovskite semiconductors : general description of the electronic band structure
- 2012Non-linear electro-elastic coupling in highly strained zinc-blende compounds: InGaP/GaP [111] quantum wells
- 2012Thermodynamic evolution of antiphase boundaries in GaP/Si epilayers evidenced by advanced X-ray scatteringcitations
- 2012Thermodynamic evolution of antiphase boundaries in GaP/Si epilayers evidenced by advanced X-ray scatteringcitations
- 2012Structural and optical properties of AlGaP confinement layers and InGaAs quantum dots light emitters onto GaP substrate: towards photonics on silicon applicationcitations
- 2011Carrier injection in GaAsP(N)/GaPN Quantum Wells on Silicon
- 2011Carrier injection in GaAsP(N)/GaPN Quantum Wells on Silicon
- 2009Fundamental studies for coherent growth of III-V materials on Si: toward Photonics on Silicon
- 2009Low threshold current density of InAs quantum dash laser on InP (100) through optimizing double cap techniquecitations
- 2008From k·p to atomic calculations applied to semiconductor heterostructures
- 2007From k·p to atomic calculations applied to semiconductor heterostructures
- 2006Influence of the number of quantum dots stacks on the threshold current density of 1.55 µm InAs/InP(311)B semiconductor lasers
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article
Antiphase boundaries in III-V semiconductors: Atomic configurations, band structures, and Fermi levels
Abstract
International audience ; Here, we comprehensively investigate the atomic structures and electronic properties of different antiphase boundaries in III-V semiconductors with different orientations and stoichiometries, including {110}, {100}, {111}, {112}, and {113}, based on first-principle calculations. Especially, we demonstrate how the ladder or zigzag chemical bond configuration can lead, for the different cases, to a gapped semiconducting band structure, to a gapped metallic band structure, or to a nongapped metallic band structure. In addition, we evidence that the ladder antiphase boundary (APB) configurations more significantly impact the Fermi energy levels than the zigzag APB configurations. We finally discuss how these different band structures can have some consequences on the operation of monolithic III-V/Si devices for photonics or energy harvesting.