693.932 PEOPLE
| People | Locations | Statistics |
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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
Density Functional Theory Simulations of Semiconductors for Photovoltaic Applications: Hybrid Organic-Inorganic Perovskites and III/V Heterostructures
Abstract
This research was performed using HPC resources from GENCI CINES and IDRIS 2013 (c2013096724) ; International audience ; Potentialities of density functional theory (DFT) based methodologies are explored for photovoltaic materials through the modeling of the structural and optoelectronic properties of semiconductor hybrid organic-inorganic perovskites and GaAs/GaP heterostructures. They show how the properties of these bulk materials, as well as atomistic relaxations, interfaces, and electronic band-lineups in small heterostructures, can be thoroughly investigated. Some limitations of available standard DFT codes are discussed. Recent improvements able to treat many-body effects or based on density-functional perturbation theory are also reviewed in the context of issues relevant to photovoltaic technologies.