Suppressing Oxygen-Induced Deterioration of Metal Halide Perovskites by Alkaline Earth Metal Doping: A Quantum Dynamics Study
Published 2022 View Full Article
- Home
- Publications
- Publication Search
- Publication Details
Title
Suppressing Oxygen-Induced Deterioration of Metal Halide Perovskites by Alkaline Earth Metal Doping: A Quantum Dynamics Study
Authors
Keywords
-
Journal
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
Volume 144, Issue 12, Pages 5543-5551
Publisher
American Chemical Society (ACS)
Online
2022-03-17
DOI
10.1021/jacs.2c00319
References
Ask authors/readers for more resources
Related references
Note: Only part of the references are listed.- Conformal quantum dot–SnO 2 layers as electron transporters for efficient perovskite solar cells
- (2022) Minjin Kim et al. SCIENCE
- Ion Migration Accelerated Reaction between Oxygen and Metal Halide Perovskites in Light and Its Suppression by Cesium Incorporation
- (2021) Dongxu Lin et al. Advanced Energy Materials
- Concentric Approximation for Fast and Accurate Numerical Evaluation of Nonadiabatic Coupling with Projector Augmented-Wave Pseudopotentials
- (2021) Weibin Chu et al. Journal of Physical Chemistry Letters
- Bright and Stable Light-Emitting Diodes Based on Perovskite Quantum Dots in Perovskite Matrix
- (2021) Yuan Liu et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Modeling Non-adiabatic Dynamics in Nanoscale and Condensed Matter Systems
- (2021) Oleg V. Prezhdo ACCOUNTS OF CHEMICAL RESEARCH
- Substitutional alkaline earth metals delay nonradiative charge recombination in CH3NH3PbI3 perovskite: A time-domain study
- (2021) Lu Qiao et al. JOURNAL OF CHEMICAL PHYSICS
- The Interplay between Lead Vacancy and Water Rationalizes the Puzzle of Charge Carrier Lifetimes in CH3NH3PbI3: Time‐Domain Ab Initio Analysis
- (2020) Lu Qiao et al. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
- Oxidation Notably Accelerates Nonradiative Electron–Hole Recombination in MoS2 by Different Mechanisms: Time-Domain Ab Initio Analysis
- (2020) Xiaoli Wang et al. Journal of Physical Chemistry Letters
- Why Oxygen Increases Carrier Lifetimes but Accelerates Degradation of CH3NH3PbI3 Under Light Irradiation: Time-Domain Ab Initio Analysis
- (2020) Jinlu He et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Suppression of Oxidative Degradation of Tin–Lead Hybrid Organometal Halide Perovskite Solar Cells by Ag Doping
- (2020) Chaneui Park et al. ACS Energy Letters
- Modeling Auger Processes with Nonadiabatic Molecular Dynamics
- (2020) Guoqing Zhou et al. NANO LETTERS
- Two-dimensional Hybrid Perovskite-type Ferroelectric for Highly Polarization-Sensitive Shortwave Photodetection
- (2019) Lina Li et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Superoxide/Peroxide Chemistry Extends Charge Carriers’ Lifetime but Undermines Chemical Stability of CH3NH3PbI3 Exposed to Oxygen: Time-Domain ab Initio Analysis
- (2019) Jinlu He et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Strain Controls Charge Carrier Lifetimes in Monolayer WSe2: Ab Initio Time Domain Analysis
- (2019) Yating Yang et al. Journal of Physical Chemistry Letters
- Covalent Functionalized Black Phosphorus Greatly Inhibits Nonradiative Charge Recombination: A Time Domain Ab Initio Study
- (2019) Yaqing Wei et al. Journal of Physical Chemistry Letters
- The Fate of the Peroxyl Radical in Autoxidation: How Does Polymer Degradation Really Occur?
- (2018) Leesa M. Smith et al. ACCOUNTS OF CHEMICAL RESEARCH
- Magnesium-Doped MAPbI3 Perovskite Layers for Enhanced Photovoltaic Performance in Humid Air Atmosphere
- (2018) Fu Yang et al. ACS Applied Materials & Interfaces
- Calcium doped MAPbI3 with better energy state alignment in perovskite solar cells
- (2018) Chaojie Lu et al. APPLIED PHYSICS LETTERS
- Computational Study of Structural and Electronic Properties of Lead-Free CsMI3 Perovskites (M = Ge, Sn, Pb, Mg, Ca, Sr, and Ba)
- (2018) Debmalya Ray et al. Journal of Physical Chemistry C
- Grain Boundaries Are Benign and Suppress Nonradiative Electron–Hole Recombination in Monolayer Black Phosphorus: A Time-Domain Ab Initio Study
- (2018) Yaqing Wei et al. Journal of Physical Chemistry Letters
- Rapid Decoherence Suppresses Charge Recombination in Multi-Layer 2D Halide Perovskites: Time-Domain Ab Initio Analysis
- (2018) Zhaosheng Zhang et al. NANO LETTERS
- Directional Growth of Ultralong CsPbBr3 Perovskite Nanowires for High-Performance Photodetectors
- (2017) Muhammad Shoaib et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Sulfur Adatom and Vacancy Accelerate Charge Recombination in MoS2 but by Different Mechanisms: Time-Domain Ab Initio Analysis
- (2017) Linqiu Li et al. NANO LETTERS
- Ab initio study of the role of oxygen and excess electrons in the degradation of CH3NH3PbI3
- (2017) Linghai Zhang et al. Journal of Materials Chemistry A
- Enhancing perovskite solar cell performance and stability by doping barium in methylammonium lead halide
- (2017) Shun-Hsiang Chan et al. Journal of Materials Chemistry A
- Efficient planar perovskite solar cells using halide Sr-substituted Pb perovskite
- (2017) Xuxia Shai et al. Nano Energy
- Oxygen Intercalation Induced by Photocatalysis on the Surface of Hybrid Lead Halide Perovskites
- (2016) Weiguang Kong et al. Journal of Physical Chemistry C
- Fabrication of Efficient Low-Bandgap Perovskite Solar Cells by Combining Formamidinium Tin Iodide with Methylammonium Lead Iodide
- (2016) Weiqiang Liao et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Unravelling the Effects of Grain Boundary and Chemical Doping on Electron–Hole Recombination in CH3NH3PbI3 Perovskite by Time-Domain Atomistic Simulation
- (2016) Run Long et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Perovskite CH3NH3PbI3(Cl) Single Crystals: Rapid Solution Growth, Unparalleled Crystalline Quality, and Low Trap Density toward 108 cm–3
- (2016) Zhipeng Lian et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Output Coupling of Perovskite Lasers from Embedded Nanoscale Plasmonic Waveguides
- (2016) Yong Jun Li et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Carrier Diffusion Lengths of over 500 nm in Lead-Free Perovskite CH3NH3SnI3 Films
- (2016) Lin Ma et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Dynamic disorder, phonon lifetimes, and the assignment of modes to the vibrational spectra of methylammonium lead halide perovskites
- (2016) Aurélien M. A. Leguy et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Photon recycling in lead iodide perovskite solar cells
- (2016) L. M. Pazos-Outon et al. SCIENCE
- The Role of Oxygen in the Degradation of Methylammonium Lead Trihalide Perovskite Photoactive Layers
- (2015) Nicholas Aristidou et al. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
- What Makes the Photocatalytic CO2 Reduction on N-Doped Ta2O5 Efficient: Insights from Nonadiabatic Molecular Dynamics
- (2015) Alexey V. Akimov et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Controllable Grain Morphology of Perovskite Absorber Film by Molecular Self-Assembly toward Efficient Solar Cell Exceeding 17%
- (2015) Wenzhe Li et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- 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
- Coherence penalty functional: A simple method for adding decoherence in Ehrenfest dynamics
- (2014) Alexey V. Akimov et al. JOURNAL OF CHEMICAL PHYSICS
- Advanced Capabilities of the PYXAID Program: Integration Schemes, Decoherence Effects, Multiexcitonic States, and Field-Matter Interaction
- (2014) Alexey V. Akimov et al. Journal of Chemical Theory and Computation
- The PYXAID Program for Non-Adiabatic Molecular Dynamics in Condensed Matter Systems
- (2013) Alexey V. Akimov et al. Journal of Chemical Theory and Computation
- The Raman Spectrum of the CH3NH3PbI3 Hybrid Perovskite: Interplay of Theory and Experiment
- (2013) Claudio Quarti et al. Journal of Physical Chemistry Letters
- Quantum Zeno Effect Rationalizes the Phonon Bottleneck in Semiconductor Quantum Dots
- (2013) Svetlana V. Kilina et al. PHYSICAL REVIEW LETTERS
- Decoherence-induced surface hopping
- (2012) Heather M. Jaeger et al. JOURNAL OF CHEMICAL PHYSICS
- Efficient Hybrid Solar Cells Based on Meso-Superstructured Organometal Halide Perovskites
- (2012) M. M. Lee et al. SCIENCE
- Regarding the validity of the time-dependent Kohn–Sham approach for electron-nuclear dynamics via trajectory surface hopping
- (2011) Sean A. Fischer et al. JOURNAL OF CHEMICAL PHYSICS
- 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
- Organometal Halide Perovskites as Visible-Light Sensitizers for Photovoltaic Cells
- (2009) Akihiro Kojima et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
Find Funding. Review Successful Grants.
Explore over 25,000 new funding opportunities and over 6,000,000 successful grants.
ExploreAsk a Question. Answer a Question.
Quickly pose questions to the entire community. Debate answers and get clarity on the most important issues facing researchers.
Get Started