Density functional theory + U modeling of polarons in organohalide lead perovskites

Cesium-containing triple cation perovskite solar cells: improved stability, reproducibility and high efficiency

(2016) Michael Saliba et al.   Energy & Environmental Science

Experimental and theoretical optical properties of methylammonium lead halide perovskites

(2016) Aurélien M. A. Leguy et al.   Nanoscale

Spatially separated charge densities of electrons and holes in organic-inorganic halide perovskites

(2015) Dan Li et al.   JOURNAL OF APPLIED PHYSICS

Are Mobilities in Hybrid Organic–Inorganic Halide Perovskites Actually “High”?

(2015) Thomas M. Brenner et al.   Journal of Physical Chemistry Letters

Charge Carriers in Hybrid Organic–Inorganic Lead Halide Perovskites Might Be Protected as Large Polarons

(2015) X.-Y. Zhu et al.   Journal of Physical Chemistry Letters

New insights into organic–inorganic hybrid perovskite CH3NH3PbI3 nanoparticles. An experimental and theoretical study of doping in Pb2+ sites with Sn2+, Sr2+, Cd2+ and Ca2+

(2015) Javier Navas et al.   Nanoscale

Lattice dynamics and vibrational spectra of the orthorhombic, tetragonal, and cubic phases of methylammonium lead iodide

(2015) Federico Brivio et al.   PHYSICAL REVIEW B

High-performance photovoltaic perovskite layers fabricated through intramolecular exchange

(2015) W. S. Yang et al.   SCIENCE

Lead iodide perovskite light-emitting field-effect transistor

(2015) Xin Yu Chin et al.   Nature Communications

Electrostatic gating of hybrid halide perovskite field-effect transistors: balanced ambipolar transport at room-temperature

(2015) Y. Mei et al.   MRS Communications

Perovskites for Solar Thermoelectric Applications: A First Principle Study of CH3NH3AI3 (A = Pb and Sn)

(2014) Yuping He et al.   CHEMISTRY OF MATERIALS

Efficacy of the DFT + Uformalism for modeling hole polarons in perovskite oxides

(2014) Paul Erhart et al.   PHYSICAL REVIEW B

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

(2014) Paolo Umari et al.   Scientific Reports

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

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

Mesoporous TiO2 single crystals delivering enhanced mobility and optoelectronic device performance

(2013) Edward J. W. Crossland 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

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

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

(2013) Federico Brivio et al.   APL Materials

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

6.5% efficient perovskite quantum-dot-sensitized solar cell

(2011) Jeong-Hyeok Im et al.   Nanoscale

GWquasiparticle corrections to theLDA+U∕GGA+Uelectronic structure of bcc hydrogen

(2008) Emmanouil Kioupakis et al.   PHYSICAL REVIEW B