Role of Polar Phonons in the Photo Excited State of Metal Halide Perovskites

Intrinsic femtosecond charge generation dynamics in single crystal CH3NH3PbI3

(2015) David A. Valverde-Chávez et al.   Energy & Environmental Science

Vibrational Properties of the Organic–Inorganic Halide Perovskite CH3NH3PbI3 from Theory and Experiment: Factor Group Analysis, First-Principles Calculations, and Low-Temperature Infrared Spectra

(2015) Miguel A. Pérez-Osorio et al.   Journal of Physical Chemistry C

Entropy-Suppressed Ferroelectricity in Hybrid Lead-Iodide Perovskites

(2015) Alessio Filippetti et al.   Journal of Physical Chemistry Letters

Direct measurement of the exciton binding energy and effective masses for charge carriers in organic–inorganic tri-halide perovskites

(2015) Atsuhiko Miyata et al.   Nature Physics

Beyond the Tamm-Dancoff approximation for extended systems using exact diagonalization

(2015) Tobias Sander et al.   PHYSICAL REVIEW B

Revealing the role of organic cations in hybrid halide perovskite CH3NH3PbI3

(2015) Carlo Motta et al.   Nature Communications

Photoelectronic Responses in Solution-Processed Perovskite CH$_{\bf 3}$ NH$_{\bf 3}$PbI $_{\bf 3}$ Solar Cells Studied by Photoluminescence and Photoabsorption Spectroscopy

(2015) Yasuhiro Yamada et al.   IEEE Journal of Photovoltaics

Optical properties of organometallic perovskite: An ab initio study using relativistic GW correction and Bethe-Salpeter equation

(2015) Towfiq Ahmed et al.   EPL

NH2CH═NH2PbI3: An Alternative Organolead Iodide Perovskite Sensitizer for Mesoscopic Solar Cells

(2014) Shuping Pang 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

Organolead Halide Perovskite: New Horizons in Solar Cell Research

(2014) Hui-Seon Kim 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

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

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

Thermally Activated Exciton Dissociation and Recombination Control the Carrier Dynamics in Organometal Halide Perovskite

(2014) Tom J. Savenije et al.   Journal of Physical Chemistry Letters

Room-Temperature Near-Infrared High-Q Perovskite Whispering-Gallery Planar Nanolasers

(2014) Qing Zhang et al.   NANO LETTERS

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

(2014) Jarvist M. Frost 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 light and shade of perovskite solar cells

(2014) Michael Grätzel   NATURE MATERIALS

The emergence of perovskite solar cells

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

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

Ab InitioStudy of Hot Carriers in the First Picosecond after Sunlight Absorption in Silicon

(2014) Marco Bernardi et al.   PHYSICAL REVIEW LETTERS

First-principles calculations for point defects in solids

(2014) Christoph Freysoldt et al.   REVIEWS OF MODERN PHYSICS

Correlated electron–hole plasma in organometal perovskites

(2014) Michele Saba 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

Bandgap calculations and trends of organometal halide perovskites

(2014) Ivano E. Castelli et al.   APL Materials

The origin of high efficiency in low-temperature solution-processable bilayer organometal halide hybrid solar cells

(2013) Shuangyong Sun et al.   Energy & Environmental Science

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

DFT andk·pmodelling of the phase transitions of lead and tin halide perovskites for photovoltaic cells

(2013) Jacky Even et al.   Physica Status Solidi-Rapid Research Letters

Computing vibrational spectra from ab initio molecular dynamics

(2013) Martin Thomas et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Electronic band structure, phonons, and exciton binding energies of halide perovskites CsSnCl3, CsSnBr3, and CsSnI3

(2013) Ling-yi Huang et al.   PHYSICAL REVIEW B

Structural and electronic properties of hybrid perovskites for high-efficiency thin-film photovoltaics from first-principles

(2013) Federico Brivio et al.   APL Materials

A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu

(2010) Stefan Grimme et al.   JOURNAL OF CHEMICAL PHYSICS

Time-dependent density-functional theory in the projector augmented-wave method

(2008) Michael Walter et al.   JOURNAL OF CHEMICAL PHYSICS

Ab initioinvestigation of hybrid organic-inorganic perovskites based on tin halides

(2008) Ivo Borriello et al.   PHYSICAL REVIEW B

EfficientO(N2)approach to solve the Bethe-Salpeter equation for excitonic bound states

(2008) F. Fuchs et al.   PHYSICAL REVIEW B

Restoring the Density-Gradient Expansion for Exchange in Solids and Surfaces

(2008) John P. Perdew et al.   PHYSICAL REVIEW LETTERS

wannier90: A tool for obtaining maximally-localised Wannier functions

(2007) Arash A. Mostofi et al.   COMPUTER PHYSICS COMMUNICATIONS