Perspective: Theory and simulation of hybrid halide perovskites.

scientific article published in June 2017

Perspective: Theory and simulation of hybrid halide perovskites. is …
instance of (P31):
scholarly articleQ13442814

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P818arXiv ID1703.09504
P356DOI10.1063/1.4984964
P932PMC publication ID5464957
P698PubMed publication ID29166078

P50authorYoung-Kwang JungQ87896663
Aron WalshQ51143624
Lucy D WhalleyQ59578819
Jarvist M. FrostQ59662892
P2093author name stringYoung-Kwang Jung
P2860cites workPrinciples of Chemical Bonding and Band Gap Engineering in Hybrid Organic-Inorganic Halide PerovskitesQ26829659
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(CH3NH3)2Pb(SCN)2I2: A More Stable Structural Motif for Hybrid Halide Photovoltaics?Q60338563
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Rashba Spin-Orbit Coupling Enhanced Carrier Lifetime in CH₃NH₃PbI₃Q86456265
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Flexible All-Inorganic Perovskite CsPbBr3 Nonvolatile Memory DeviceQ36257094
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Organic-Inorganic Perovskites: Structural Versatility for Functional Materials DesignQ38796879
Modeling hybrid perovskites by molecular dynamics.Q39016681
A new potential for methylammonium lead iodideQ39038903
Direct-indirect character of the bandgap in methylammonium lead iodide perovskite.Q39326619
Atomistic origins of high-performance in hybrid halide perovskite solar cellsQ39656629
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Rotational dynamics of organic cations in the CH3NH3PbI3 perovskiteQ40343434
Reversible photo-induced trap formation in mixed-halide hybrid perovskites for photovoltaicsQ40995899
Theory of hydrogen migration in organic-inorganic halide perovskitesQ43178384
Unravelling the Effects of Grain Boundary and Chemical Doping on Electron-Hole Recombination in CH3NH3PbI3 Perovskite by Time-Domain Atomistic SimulationQ45218474
Nanoscale charge localization induced by random orientations of organic molecules in hybrid perovskite CH3NH3PbI3.Q46296070
Heterogeneous Charge Carrier Dynamics in Organic-Inorganic Hybrid Materials: Nanoscale Lateral and Depth-Dependent Variation of Recombination Rates in Methylammonium Lead Halide Perovskite Thin FilmsQ46328670
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Temperature Dependence of the Energy Levels of Methylammonium Lead Iodide Perovskite from First-PrinciplesQ48052001
General Space-Confined On-Substrate Fabrication of Thickness-Adjustable Hybrid Perovskite Single-Crystalline Thin FilmsQ48133107
Organic Cation Rotation and Immobilization in Pure and Mixed Methylammonium Lead-Halide PerovskitesQ48190546
Resistive Switching Behavior in Organic-Inorganic Hybrid CH3 NH3 PbI3-x Clx Perovskite for Resistive Random Access Memory Devices.Q50711798
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Highly Efficient Perovskite Nanocrystal Light-Emitting Diodes Enabled by a Universal Crosslinking Method.Q51435692
Can ferroelectric polarization explain the high performance of hybrid halide perovskite solar cells?Q51627610
First-principles atomistic thermodynamics for oxidation catalysis: surface phase diagrams and catalytically interesting regions.Q52953205
Real-Time Observation of Organic Cation Reorientation in Methylammonium Lead Iodide Perovskites.Q53227399
Dynamic disorder, phonon lifetimes, and the assignment of modes to the vibrational spectra of methylammonium lead halide perovskites.Q54169622
A universal chemical potential for sulfur vapours† †Electronic supplementary information (ESI) available: Tabulated free energy and enthalpy data. Additional data and code available in external repositories with DOI: 10.5281/zenodo.28536; DOI: 10.60Q55019319
Can slow-moving ions explain hysteresis in the current–voltage curves of perovskite solar cells?Q57877213
Ions Matter: Description of the Anomalous Electronic Behavior in Methylammonium Lead Halide Perovskite DevicesQ58227275
Defect migration in methylammonium lead iodide and its role in perovskite solar cell operationQ59008852
Crystal Structure and Photoconductivity of Cæsium PlumbohalidesQ59066007
High-efficiency two-dimensional Ruddlesden–Popper perovskite solar cellsQ59068714
Relativistic electronic structure and band alignment of BiSI and BiSeI: candidate photovoltaic materialsQ59463190
Modular design of SPIRO-OMeTAD analogues as hole transport materials in solar cellsQ59463234
P433issue22
P407language of work or nameEnglishQ1860
P921main subjectperovskiteQ409787
perovskite structureQ3036449
P304page(s)220901
P577publication date2017-06-01
P1433published inJournal of Chemical PhysicsQ900472
P1476titlePerspective: Theory and simulation of hybrid halide perovskites
P478volume146

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cites work (P2860)
Q98665219Echoes from quantum confinement
Q47431350Hybrid organic-inorganic CH3 NH3 PbI3 perovskite building blocks: Revealing ultra-strong hydrogen bonding and mulliken inner complexes and their implications in materials design
Q90255894Influence of Orientational Disorder on the Optical Absorption Properties of the Hybrid Metal-Halide Perovskite CH3 NH3 PbI3
Q92943663Quasiparticle GW Calculations on Lead-Free Hybrid Germanium Iodide Perovskite CH3NH3GeI3 for Photovoltaic Applications
Q60912895Significance of hydrogen bonding and other noncovalent interactions in determining octahedral tilting in the CHNHPbI hybrid organic-inorganic halide perovskite solar cell semiconductor

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