Structural and electronic properties of organo-halide hybrid perovskites from ab initio molecular dynamics

Complete structure and cation orientation in the perovskite photovoltaic methylammonium lead iodide between 100 and 352 K

(2015) Mark T. Weller et al.   CHEMICAL COMMUNICATIONS

Ferroelectric Domain Wall Induced Band Gap Reduction and Charge Separation in Organometal Halide Perovskites

(2015) Shi Liu et al.   Journal of Physical Chemistry Letters

Interplay of Orientational Order and Electronic Structure in Methylammonium Lead Iodide: Implications for Solar Cell Operation

(2014) Claudio Quarti et al.   CHEMISTRY OF MATERIALS

Formamidinium lead trihalide: a broadly tunable perovskite for efficient planar heterojunction solar cells

(2014) Giles E. Eperon et al.   Energy & Environmental Science

Organohalide lead perovskites for photovoltaic applications

(2014) Peng Gao et al.   Energy & Environmental Science

Cation Role in Structural and Electronic Properties of 3D Organic–Inorganic Halide Perovskites: A DFT Analysis

(2014) Giacomo Giorgi et al.   Journal of Physical Chemistry C

First-Principles Study of Lead Iodide Perovskite Tetragonal and Orthorhombic Phases for Photovoltaics

(2014) Wei Geng et al.   Journal of Physical Chemistry C

Analysis of Multivalley and Multibandgap Absorption and Enhancement of Free Carriers Related to Exciton Screening in Hybrid Perovskites

(2014) Jacky Even et al.   Journal of Physical Chemistry C

The Impact of the Crystallization Processes on the Structural and Optical Properties of Hybrid Perovskite Films for Photovoltaics

(2014) Giulia Grancini et al.   Journal of Physical Chemistry Letters

First-Principles Calculation of the Bulk Photovoltaic Effect in CH3NH3PbI3 and CH3NH3PbI3–xClx

(2014) Fan Zheng et al.   Journal of Physical Chemistry Letters

The Role of Intrinsic Defects in Methylammonium Lead Iodide Perovskite

(2014) Jongseob Kim et al.   Journal of Physical Chemistry Letters

First-Principles Investigation of the TiO2/Organohalide Perovskites Interface: The Role of Interfacial Chlorine

(2014) Edoardo Mosconi et al.   Journal of Physical Chemistry Letters

Role of Dispersive Interactions in Determining Structural Properties of Organic–Inorganic Halide Perovskites: Insights from First-Principles Calculations

(2014) David A. Egger et al.   Journal of Physical Chemistry Letters

Direct Observation of Ferroelectric Domains in Solution-Processed CH3NH3PbI3 Perovskite Thin Films

(2014) Yasemin Kutes et al.   Journal of Physical Chemistry Letters

Crystal Structures, Optical Properties, and Effective Mass Tensors of CH3NH3PbX3 (X = I and Br) Phases Predicted from HSE06

(2014) Jing Feng et al.   Journal of Physical Chemistry Letters

Electronic Structure of TiO2/CH3NH3PbI3 Perovskite Solar Cell Interfaces

(2014) Rebecka Lindblad et al.   Journal of Physical Chemistry Letters

Stark Effect in Perovskite/TiO2 Solar Cells: Evidence of Local Interfacial Order

(2014) Vittoria Roiati et al.   NANO LETTERS

Cation-Induced Band-Gap Tuning in Organohalide Perovskites: Interplay of Spin–Orbit Coupling and Octahedra Tilting

(2014) Anna Amat et al.   NANO LETTERS

Atomistic Origins of High-Performance in Hybrid Halide Perovskite Solar Cells

(2014) Jarvist M. Frost et al.   NANO LETTERS

Why Lead Methylammonium Tri-Iodide Perovskite-Based Solar Cells Require a Mesoporous Electron Transporting Scaffold (but Not Necessarily a Hole Conductor)

(2014) Eran Edri et al.   NANO LETTERS

Nanoscale Charge Localization Induced by Random Orientations of Organic Molecules in Hybrid Perovskite CH3NH3PbI3

(2014) Jie Ma et al.   NANO LETTERS

The emergence of perovskite solar cells

(2014) Martin A. Green et al.   Nature Photonics

Structural and electronic properties of organo-halide lead perovskites: a combined IR-spectroscopy and ab initio molecular dynamics investigation

(2014) Edoardo Mosconi et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Self-consistent relativistic band structure of theCH3NH3PbI3perovskite

(2014) E. Menéndez-Proupin et al.   PHYSICAL REVIEW B

GWquasiparticle band gap of the hybrid organic-inorganic perovskiteCH3NH3PbI3: Effect of spin-orbit interaction, semicore electrons, and self-consistency

(2014) Marina R. Filip et al.   PHYSICAL REVIEW B

Relativistic quasiparticle self-consistent electronic structure of hybrid halide perovskite photovoltaic absorbers

(2014) Federico Brivio et al.   PHYSICAL REVIEW B

Switchable S = 1/2 and J = 1/2 Rashba bands in ferroelectric halide perovskites

(2014) M. Kim et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Interface engineering of highly efficient perovskite solar cells

(2014) H. Zhou et al.   SCIENCE

Elucidating the charge carrier separation and working mechanism of CH3NH3PbI3−xCl x perovskite solar cells

(2014) Eran Edri et al.   Nature Communications

Tunable ferroelectric polarization and its interplay with spin–orbit coupling in tin iodide perovskites

(2014) Alessandro Stroppa et al.   Nature Communications

Excitons versus free charges in organo-lead tri-halide perovskites

(2014) Valerio D’Innocenzo et al.   Nature Communications

Relativistic GW calculations on CH3NH3PbI3 and CH3NH3SnI3 Perovskites for Solar Cell Applications

(2014) Paolo Umari et al.   Scientific Reports

Efficient carrier transport in halide perovskites: theoretical perspectives

(2014) M. H. Du   Journal of Materials Chemistry A

Molecular ferroelectric contributions to anomalous hysteresis in hybrid perovskite solar cells

(2014) Jarvist M. Frost et al.   APL Materials

High Charge Carrier Mobilities and Lifetimes in Organolead Trihalide Perovskites

(2013) Christian Wehrenfennig et al.   ADVANCED MATERIALS

MAPbI3-xClx Mixed Halide Perovskite for Hybrid Solar Cells: The Role of Chloride as Dopant on the Transport and Structural Properties

(2013) Silvia Colella et al.   CHEMISTRY OF MATERIALS

Semiconducting Tin and Lead Iodide Perovskites with Organic Cations: Phase Transitions, High Mobilities, and Near-Infrared Photoluminescent Properties

(2013) Constantinos C. Stoumpos et al.   INORGANIC CHEMISTRY

First-Principles Modeling of Mixed Halide Organometal Perovskites for Photovoltaic Applications

(2013) Edoardo Mosconi et al.   Journal of Physical Chemistry C

The Swift Surge of Perovskite Photovoltaics

(2013) Juan Bisquert   Journal of Physical Chemistry Letters

Small Photocarrier Effective Masses Featuring Ambipolar Transport in Methylammonium Lead Iodide Perovskite: A Density Functional Analysis

(2013) Giacomo Giorgi et al.   Journal of Physical Chemistry Letters

The Raman Spectrum of the CH3NH3PbI3 Hybrid Perovskite: Interplay of Theory and Experiment

(2013) Claudio Quarti et al.   Journal of Physical Chemistry Letters

Importance of Spin–Orbit Coupling in Hybrid Organic/Inorganic Perovskites for Photovoltaic Applications

(2013) Jacky Even et al.   Journal of Physical Chemistry Letters

Structure of Methylammonium Lead Iodide Within Mesoporous Titanium Dioxide: Active Material in High-Performance Perovskite Solar Cells

(2013) Joshua J. Choi et al.   NANO LETTERS

Sequential deposition as a route to high-performance perovskite-sensitized solar cells

(2013) Julian Burschka et al.   NATURE

Efficient planar heterojunction perovskite solar cells by vapour deposition

(2013) Mingzhen Liu et al.   NATURE

Efficient inorganic–organic hybrid heterojunction solar cells containing perovskite compound and polymeric hole conductors

(2013) Jin Hyuck Heo et al.   Nature Photonics

Density functional theory analysis of structural and electronic properties of orthorhombic perovskite CH3NH3PbI3

(2013) Yun Wang et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Long-Range Balanced Electron- and Hole-Transport Lengths in Organic-Inorganic CH3NH3PbI3

(2013) G. Xing et al.   SCIENCE

Electron-Hole Diffusion Lengths Exceeding 1 Micrometer in an Organometal Trihalide Perovskite Absorber

(2013) S. D. Stranks et al.   SCIENCE

Synthesis and crystal chemistry of the hybrid perovskite (CH3NH3)PbI3 for solid-state sensitised solar cell applications

(2013) Tom Baikie et al.   Journal of Materials Chemistry A

Efficient Hybrid Solar Cells Based on Meso-Superstructured Organometal Halide Perovskites

(2012) M. M. Lee et al.   SCIENCE

Lead Iodide Perovskite Sensitized All-Solid-State Submicron Thin Film Mesoscopic Solar Cell with Efficiency Exceeding 9%

(2012) Hui-Seon Kim et al.   Scientific Reports

Simulating Dye-Sensitized TiO2 Heterointerfaces in Explicit Solvent: Absorption Spectra, Energy Levels, and Dye Desorption

(2011) Filippo De Angelis et al.   Journal of Physical Chemistry Letters

6.5% efficient perovskite quantum-dot-sensitized solar cell

(2011) Jeong-Hyeok Im et al.   Nanoscale

Organometal Halide Perovskites as Visible-Light Sensitizers for Photovoltaic Cells

(2009) Akihiro Kojima et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Study of Local Structure in Selected Organic–Inorganic Perovskites in thePm3̅mPhase

(2008) Richard J. Worhatch et al.   CHEMISTRY OF MATERIALS