Ab initio study of the role of oxygen and excess electrons in the degradation of CH3NH3PbI3

Multinuclear Magnetic Resonance Tracking of Hydro, Thermal, and Hydrothermal Decomposition of CH3NH3PbI3

(2017) Abdelrahman M. Askar et al.   Journal of Physical Chemistry C

Localized holes and delocalized electrons in photoexcited inorganic perovskites: Watching each atomic actor by picosecond X-ray absorption spectroscopy

(2017) Fabio G. Santomauro et al.   Structural Dynamics

Making and Breaking of Lead Halide Perovskites

(2016) Joseph S. Manser et al.   ACCOUNTS OF CHEMICAL RESEARCH

Not All That Glitters Is Gold: Metal-Migration-Induced Degradation in Perovskite Solar Cells

(2016) Konrad Domanski et al.   ACS Nano

Mechanisms for light induced degradation in MAPbI3 perovskite thin films and solar cells

(2016) Ghada Abdelmageed et al.   APPLIED PHYSICS LETTERS

Enhanced TiO2/MAPbI3 Electronic Coupling by Interface Modification with PbI2

(2016) Edoardo Mosconi et al.   CHEMISTRY OF MATERIALS

Orientation of Organic Cations in Hybrid Inorganic–Organic Perovskite CH3NH3PbI3 from Subatomic Resolution Single Crystal Neutron Diffraction Structural Studies

(2016) Yixin Ren et al.   CRYSTAL GROWTH & DESIGN

Light and oxygen induced degradation limits the operational stability of methylammonium lead triiodide perovskite solar cells

(2016) Daniel Bryant et al.   Energy & Environmental Science

Organometal halide perovskite solar cells: degradation and stability

(2016) Taame Abraha Berhe et al.   Energy & Environmental Science

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

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

Decomposition and Cell Failure Mechanisms in Lead Halide Perovskite Solar Cells

(2016) Jinli Yang et al.   INORGANIC CHEMISTRY

Super-Resolution Luminescence Microspectroscopy Reveals the Mechanism of Photoinduced Degradation in CH3NH3PbI3 Perovskite Nanocrystals

(2016) Aboma Merdasa et al.   Journal of Physical Chemistry C

Oxygen Intercalation Induced by Photocatalysis on the Surface of Hybrid Lead Halide Perovskites

(2016) Weiguang Kong et al.   Journal of Physical Chemistry C

Humidity-Induced Grain Boundaries in MAPbI3 Perovskite Films

(2016) Dan Li et al.   Journal of Physical Chemistry C

Synergistic Effects of Water and Oxygen Molecule Co-adsorption on (001) Surfaces of Tetragonal CH3NH3PbI3: A First-Principles Study

(2016) Wei Hao et al.   Journal of Physical Chemistry C

Moderate Humidity Delays Electron–Hole Recombination in Hybrid Organic–Inorganic Perovskites: Time-Domain Ab Initio Simulations Rationalize Experiments

(2016) Run Long et al.   Journal of Physical Chemistry Letters

Degradation of Methylammonium Lead Iodide Perovskite Structures through Light and Electron Beam Driven Ion Migration

(2016) Haifeng Yuan et al.   Journal of Physical Chemistry Letters

Polaron Stabilization by Cooperative Lattice Distortion and Cation Rotations in Hybrid Perovskite Materials

(2016) Amanda J. Neukirch et al.   NANO LETTERS

Stable and durable CH3NH3PbI3perovskite solar cells at ambient conditions

(2016) Nagalingam Rajamanickam et al.   NANOTECHNOLOGY

Effects of water molecules on the chemical stability of MAGeI3 perovskite explored from a theoretical viewpoint

(2016) Ping-Ping Sun et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Strategic improvement of the long-term stability of perovskite materials and perovskite solar cells

(2016) Tingting Xu et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Direct calorimetric verification of thermodynamic instability of lead halide hybrid perovskites

(2016) G. P. Nagabhushana et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

A mixed-cation lead mixed-halide perovskite absorber for tandem solar cells

(2016) D. P. McMeekin et al.   SCIENCE

Light-activated photocurrent degradation and self-healing in perovskite solar cells

(2016) Wanyi Nie et al.   Nature Communications

Oxygen Degradation in Mesoporous Al2O3/CH3NH3PbI3-xClxPerovskite Solar Cells: Kinetics and Mechanisms

(2016) Andrew J. Pearson et al.   Advanced Energy Materials

Efficient Semitransparent Perovskite Solar Cells for 23.0%-Efficiency Perovskite/Silicon Four-Terminal Tandem Cells

(2016) Bo Chen et al.   Advanced Energy Materials

Ab initio static and dynamic study of CH3NH3PbI3 degradation in the presence of water, hydroxyl radicals, and hydroxide ions

(2016) Linghai Zhang et al.   RSC Advances

Photoinduced degradation of methylammonium lead triiodide perovskite semiconductors

(2016) Xiaofeng Tang et al.   Journal of Materials Chemistry A

Accelerated degradation of methylammonium lead iodide perovskites induced by exposure to iodine vapour

(2016) Shenghao Wang et al.   Nature Energy

Towards stable and commercially available perovskite solar cells

(2016) Nam-Gyu Park et al.   Nature Energy

A molecularly engineered hole-transporting material for efficient perovskite solar cells

(2016) Michael Saliba et al.   Nature Energy

Functionalization of perovskite thin films with moisture-tolerant molecules

(2016) Shuang Yang et al.   Nature Energy

The Renaissance of Halide Perovskites and Their Evolution as Emerging Semiconductors

(2015) Constantinos C. Stoumpos et al.   ACCOUNTS OF CHEMICAL RESEARCH

Theory of Hydrogen Migration in Organic-Inorganic Halide Perovskites

(2015) David A. Egger et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

The Role of Oxygen in the Degradation of Methylammonium Lead Trihalide Perovskite Photoactive Layers

(2015) Nicholas Aristidou et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Evolution of Chemical Composition, Morphology, and Photovoltaic Efficiency of CH3NH3PbI3 Perovskite under Ambient Conditions

(2015) Weixin Huang et al.   CHEMISTRY OF MATERIALS

Transforming Hybrid Organic Inorganic Perovskites by Rapid Halide Exchange

(2015) Norman Pellet et al.   CHEMISTRY OF MATERIALS

Ab Initio Molecular Dynamics Simulations of Methylammonium Lead Iodide Perovskite Degradation by Water

(2015) Edoardo Mosconi et al.   CHEMISTRY OF MATERIALS

Reversible Hydration of CH3NH3PbI3 in Films, Single Crystals, and Solar Cells

(2015) Aurélien M. A. Leguy et al.   CHEMISTRY OF MATERIALS

Defect migration in methylammonium lead iodide and its role in perovskite solar cell operation

(2015) Jon M. Azpiroz et al.   Energy & Environmental Science

Ab Initio Study of Interaction of Water, Hydroxyl Radicals, and Hydroxide Ions with CH3NH3PbI3 and CH3NH3PbBr3 Surfaces

(2015) Linghai Zhang et al.   Journal of Physical Chemistry C

Photodecomposition and Morphology Evolution of Organometal Halide Perovskite Solar Cells

(2015) Fukashi Matsumoto et al.   Journal of Physical Chemistry C

Uncovering the Veil of the Degradation in Perovskite CH3NH3PbI3 upon Humidity Exposure: A First-Principles Study

(2015) Chuan-Jia Tong et al.   Journal of Physical Chemistry Letters

First-Principles Study of Ion Diffusion in Perovskite Solar Cell Sensitizers

(2015) Jun Haruyama et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Mechanism of Charge Transfer and Recombination Dynamics in Organo Metal Halide Perovskites and Organic Electrodes, PCBM, and Spiro-OMeTAD: Role of Dark Carriers

(2015) Carlito S. Ponseca 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

CH3NH3PbI3 perovskite single crystals: surface photophysics and their interaction with the environment

(2015) G. Grancini et al.   Chemical Science

Recent progress in organic–inorganic halide perovskite solar cells: mechanisms and material design

(2015) Shiqiang Luo et al.   Journal of Materials Chemistry A

Review of recent progress in chemical stability of perovskite solar cells

(2015) Guangda Niu et al.   Journal of Materials Chemistry A

First-Principles Investigation of the TiO2/Organohalide Perovskites Interface: The Role of Interfacial Chlorine

(2014) Edoardo Mosconi et al.   Journal of Physical Chemistry Letters

Study on the stability of CH3NH3PbI3films and the effect of post-modification by aluminum oxide in all-solid-state hybrid solar cells

(2013) Guangda Niu et al.   Journal of Materials Chemistry A

Electronic states and magnetic structure at the Co3O4(110) surface: A first-principles study

(2012) Jia Chen et al.   PHYSICAL REVIEW B

Maximally localized Wannier functions: Theory and applications

(2012) Nicola Marzari et al.   REVIEWS OF MODERN PHYSICS

Oxidation State Changes and Electron Flow in Enzymatic Catalysis and Electrocatalysis through Wannier-Function Analysis

(2011) Patrick H.-L. Sit et al.   CHEMISTRY-A EUROPEAN JOURNAL

Organometal Halide Perovskites as Visible-Light Sensitizers for Photovoltaic Cells

(2009) Akihiro Kojima et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Role and effective treatment of dispersive forces in materials: Polyethylene and graphite crystals as test cases

(2008) Vincenzo Barone et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

wannier90: A tool for obtaining maximally-localised Wannier functions

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