Intriguing Optoelectronic Properties of Metal Halide Perovskites
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June 2016 |
The Role of Intrinsic Defects in Methylammonium Lead Iodide Perovskite
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March 2014 |
Preferential CH 3 NH 3 + Alignment and Octahedral Tilting Affect Charge Localization in Cubic Phase CH 3 NH 3 PbI 3
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April 2017 |
Generalized Gradient Approximation Made Simple
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October 1996 |
Formation, stability, and mobility of self-trapped excitations in NaI and NaI Tl from first principles
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March 2013 |
DX-like centers in NaI:Tl upon aliovalent codoping
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December 2014 |
Band filling with free charge carriers in organometal halide perovskites
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August 2014 |
Hybrid organic—inorganic perovskites: low-cost semiconductors with intriguing charge-transport properties
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January 2016 |
Projector augmented-wave method
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December 1994 |
Room-temperature dynamic correlation between methylammonium molecules in lead-iodine based perovskites: An ab initio molecular dynamics perspective
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December 2016 |
Temperature-Dependent Charge-Carrier Dynamics in CH 3 NH 3 PbI 3 Perovskite Thin Films
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September 2015 |
Cation-Induced Band-Gap Tuning in Organohalide Perovskites: Interplay of Spin–Orbit Coupling and Octahedra Tilting
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May 2014 |
Organometal Halide Perovskite Solar Cell Materials Rationalized: Ultrafast Charge Generation, High and Microsecond-Long Balanced Mobilities, and Slow Recombination
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February 2014 |
Organometal Halide Perovskites as Visible-Light Sensitizers for Photovoltaic Cells
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May 2009 |
Atomic structure of metal-halide perovskites from first principles: The chicken-and-egg paradox of the organic-inorganic interaction
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July 2016 |
From ultrasoft pseudopotentials to the projector augmented-wave method
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January 1999 |
Structural and electronic properties of organo-halide hybrid perovskites from ab initio molecular dynamics
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January 2015 |
Hybrid Organic–Inorganic Perovskites on the Move
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February 2016 |
Direct Observation of Dynamic Symmetry Breaking above Room Temperature in Methylammonium Lead Iodide Perovskite
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October 2016 |
Structural and electronic properties of organo-halide lead perovskites: a combined IR-spectroscopy and ab initio molecular dynamics investigation
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January 2014 |
Electro-optics of perovskite solar cells
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December 2014 |
Solvent engineering for high-performance inorganic–organic hybrid perovskite solar cells
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July 2014 |
Revealing the role of organic cations in hybrid halide perovskite CH3NH3PbI3
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April 2015 |
High Defect Tolerance in Lead Halide Perovskite CsPbBr 3
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January 2017 |
Assessment of correction methods for the band-gap problem and for finite-size effects in supercell defect calculations: Case studies for ZnO and GaAs
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December 2008 |
Screening in crystalline liquids protects energetic carriers in hybrid perovskites
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September 2016 |
Interplay of Orientational Order and Electronic Structure in Methylammonium Lead Iodide: Implications for Solar Cell Operation
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November 2014 |
Atomistic Origins of High-Performance in Hybrid Halide Perovskite Solar Cells
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April 2014 |
Semiconducting Tin and Lead Iodide Perovskites with Organic Cations: Phase Transitions, High Mobilities, and Near-Infrared Photoluminescent Properties
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July 2013 |
How Important Is the Organic Part of Lead Halide Perovskite Photovoltaic Cells? Efficient CsPbBr 3 Cells
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June 2015 |
Polaron Stabilization by Cooperative Lattice Distortion and Cation Rotations in Hybrid Perovskite Materials
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May 2016 |
What Is Moving in Hybrid Halide Perovskite Solar Cells?
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February 2016 |
Energy transport and scintillation of cerium-doped elpasolite Cs LiYCl : Hybrid density functional calculations
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July 2012 |
Suppression of nonradiative recombination in ionic insulators by defects: Role of fast electron trapping in Tl-doped CsI
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May 2013 |
Phonon–Electron Scattering Limits Free Charge Mobility in Methylammonium Lead Iodide Perovskites
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December 2015 |
Inorganic caesium lead iodide perovskite solar cells
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January 2015 |
Extended carrier lifetimes and diffusion in hybrid perovskites revealed by Hall effect and photoconductivity measurements
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August 2016 |
Energy Landscape of Molecular Motion in Cubic Methylammonium Lead Iodide from First-Principles
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June 2016 |
Unusual defect physics in CH 3 NH 3 PbI 3 perovskite solar cell absorber
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February 2014 |
Charge-carrier dynamics in vapour-deposited films of the organolead halide perovskite CH 3 NH 3 PbI 3−x Cl x
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January 2014 |
Improved Understanding of the Electronic and Energetic Landscapes of Perovskite Solar Cells: High Local Charge Carrier Mobility, Reduced Recombination, and Extremely Shallow Traps
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September 2014 |
Organometallic Halide Perovskites: Sharp Optical Absorption Edge and Its Relation to Photovoltaic Performance
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March 2014 |
Special points for Brillouin-zone integrations
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June 1976 |
Nanoscale Charge Localization Induced by Random Orientations of Organic Molecules in Hybrid Perovskite CH 3 NH 3 PbI 3
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December 2014 |
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
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October 1996 |
Excitons versus free charges in organo-lead tri-halide perovskites
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April 2014 |
Dual nature of the excited state in organic–inorganic lead halide perovskites
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January 2015 |
Ab initio molecular-dynamics simulation of the liquid-metal–amorphous-semiconductor transition in germanium
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May 1994 |
First-principles calculations for point defects in solids
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March 2014 |
Anion vacancies as a source of persistent photoconductivity in II-VI and chalcopyrite semiconductors
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July 2005 |
Role of hydrogen-bonding and its interplay with octahedral tilting in CH 3 NH 3 PbI 3
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January 2015 |
Electron-Hole Diffusion Lengths Exceeding 1 Micrometer in an Organometal Trihalide Perovskite Absorber
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October 2013 |
Long-Range Balanced Electron- and Hole-Transport Lengths in Organic-Inorganic CH3NH3PbI3
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October 2013 |
Cesium Lead Halide Perovskites with Improved Stability for Tandem Solar Cells
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February 2016 |
The nature of hydrogen-bonding interaction in the prototypic hybrid halide perovskite, tetragonal CH3NH3PbI3
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February 2016 |
The dynamics of methylammonium ions in hybrid organic–inorganic perovskite solar cells
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May 2015 |
First-principles theory of nonradiative carrier capture via multiphonon emission
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August 2014 |
Experimental Evidence of Localized Shallow States in Orthorhombic Phase of CH 3 NH 3 PbI 3 Perovskite Thin Films Revealed by Photocurrent Beat Spectroscopy
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January 2016 |
Carrier Self-trapping and Luminescence in Intrinsically Activated Scintillator: Cesium Hafnium Chloride (Cs 2 HfCl 6 )
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May 2016 |
Detection of gamma photons using solution-grown single crystals of hybrid lead halide perovskites
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July 2016 |
Organic Cations Might Not Be Essential to the Remarkable Properties of Band Edge Carriers in Lead Halide Perovskites
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October 2016 |
High Charge Carrier Mobilities and Lifetimes in Organolead Trihalide Perovskites
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December 2013 |
Rationale for mixing exact exchange with density functional approximations
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December 1996 |
Advancements in perovskite solar cells: photophysics behind the photovoltaics
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January 2014 |
Efficient carrier transport in halide perovskites: theoretical perspectives
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January 2014 |
Ferroelectricity of CH 3 NH 3 PbI 3 Perovskite
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March 2015 |
Real-Time Observation of Organic Cation Reorientation in Methylammonium Lead Iodide Perovskites
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August 2015 |