Thermodynamic Stability Landscape of Halide Double Perovskites via High-Throughput Computing and Machine Learning

Organic-Inorganic Hybrid Halide Perovskites for Memories, Transistors, and Artificial Synapses

(2018) Jaeho Choi et al.   ADVANCED MATERIALS

Mixed Valence Perovskite Cs2 Au2 I6 : A Potential Material for Thin-Film Pb-Free Photovoltaic Cells with Ultrahigh Efficiency

(2018) Lamjed Debbichi et al.   ADVANCED MATERIALS

Intrinsic Instability of the Hybrid Halide Perovskite Semiconductor CH3NH3PbI3 *

(2018) Yue-Yu Zhang et al.   CHINESE PHYSICS LETTERS

Predicting the thermodynamic stability of perovskite oxides using machine learning models

(2018) Wei Li et al.   COMPUTATIONAL MATERIALS SCIENCE

Crystal Graph Convolutional Neural Networks for an Accurate and Interpretable Prediction of Material Properties

(2018) Tian Xie et al.   PHYSICAL REVIEW LETTERS

The geometric blueprint of perovskites

(2018) Marina R. Filip et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Predicting reaction performance in C–N cross-coupling using machine learning

(2018) Derek T. Ahneman et al.   SCIENCE

Understanding the Role of Cesium and Rubidium Additives in Perovskite Solar Cells: Trap States, Charge Transport, and Recombination

(2018) Yinghong Hu et al.   Advanced Energy Materials

Predictions of new ABO3 perovskite compounds by combining machine learning and density functional theory

(2018) Prasanna V. Balachandran et al.   PHYSICAL REVIEW MATERIALS

Photovoltaic mixed-cation lead mixed-halide perovskites: links between crystallinity, photo-stability and electronic properties

(2017) Waqaas Rehman et al.   Energy & Environmental Science

High-Throughput Screening of Lead-Free Perovskite-like Materials for Optoelectronic Applications

(2017) Ankit Jain et al.   Journal of Physical Chemistry C

Stabilization of the Perovskite Phase of Formamidinium Lead Triiodide by Methylammonium, Cs, and/or Rb Doping

(2017) Olga A. Syzgantseva et al.   Journal of Physical Chemistry Letters

Route to Stable Lead-Free Double Perovskites with the Electronic Structure of CH3NH3PbI3: A Case for Mixed-Cation [Cs/CH3NH3/CH(NH2)2]2InBiBr6

(2017) George Volonakis et al.   Journal of Physical Chemistry Letters

Cs2InAgCl6: A New Lead-Free Halide Double Perovskite with Direct Band Gap

(2017) George Volonakis et al.   Journal of Physical Chemistry Letters

Intrinsic Instability of Cs2In(I)M(III)X6 (M = Bi, Sb; X = Halogen) Double Perovskites: A Combined Density Functional Theory and Experimental Study

(2017) Zewen Xiao et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Design of Lead-Free Inorganic Halide Perovskites for Solar Cells via Cation-Transmutation

(2017) Xin-Gang Zhao et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Thermodynamic Stability Trend of Cubic Perovskites

(2017) Qingde Sun et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Phase Segregation in Cs-, Rb- and K-Doped Mixed-Cation (MA)x(FA)1–xPbI3 Hybrid Perovskites from Solid-State NMR

(2017) Dominik J. Kubicki et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Dermatologist-level classification of skin cancer with deep neural networks

(2017) Andre Esteva et al.   NATURE

Cs2AgBiBr6 single-crystal X-ray detectors with a low detection limit

(2017) Weicheng Pan et al.   Nature Photonics

Universal fragment descriptors for predicting properties of inorganic crystals

(2017) Olexandr Isayev et al.   Nature Communications

Rubidium Multication Perovskite with Optimized Bandgap for Perovskite-Silicon Tandem with over 26% Efficiency

(2017) The Duong et al.   Advanced Energy Materials

Stable Low-Bandgap Pb-Sn Binary Perovskites for Tandem Solar Cells

(2016) Zhibin Yang et al.   ADVANCED MATERIALS

Cs2AgBiX6 (X = Br, Cl): New Visible Light Absorbing, Lead-Free Halide Perovskite Semiconductors

(2016) Eric T. McClure et al.   CHEMISTRY OF MATERIALS

Entropic stabilization of mixed A-cation ABX3 metal halide perovskites for high performance perovskite solar cells

(2016) Chenyi Yi 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

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

A Bismuth-Halide Double Perovskite with Long Carrier Recombination Lifetime for Photovoltaic Applications

(2016) Adam H. Slavney et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Mastering the game of Go with deep neural networks and tree search

(2016) David Silver et al.   NATURE

Perovskite-perovskite tandem photovoltaics with optimized band gaps

(2016) Giles E. Eperon et al.   SCIENCE

Incorporation of rubidium cations into perovskite solar cells improves photovoltaic performance

(2016) M. Saliba et al.   SCIENCE

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

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

On the application of the tolerance factor to inorganic and hybrid halide perovskites: a revised system

(2016) W. Travis et al.   Chemical Science

Phase behaviour and composition in the formamidinium–methylammonium hybrid lead iodide perovskite solid solution

(2016) O. J. Weber et al.   Journal of Materials Chemistry A

Toward Lead-Free Perovskite Solar Cells

(2016) Feliciano Giustino et al.   ACS Energy Letters

Finding New Perovskite Halides via Machine Learning

(2016) Ghanshyam Pilania et al.   Frontiers in Materials

Machine learning bandgaps of double perovskites

(2016) G. Pilania et al.   Scientific Reports

Quantum Dot Light-Emitting Diodes Based on Inorganic Perovskite Cesium Lead Halides (CsPbX3)

(2015) Jizhong Song et al.   ADVANCED MATERIALS

Stabilizing Perovskite Structures by Tuning Tolerance Factor: Formation of Formamidinium and Cesium Lead Iodide Solid-State Alloys

(2015) Zhen Li et al.   CHEMISTRY OF MATERIALS

Big Data of Materials Science: Critical Role of the Descriptor

(2015) Luca M. Ghiringhelli et al.   PHYSICAL REVIEW LETTERS

Formamidinium and Cesium Hybridization for Photo- and Moisture-Stable Perovskite Solar Cell

(2015) Jin-Wook Lee et al.   Advanced Energy Materials

Chemical Management for Colorful, Efficient, and Stable Inorganic–Organic Hybrid Nanostructured Solar Cells

(2013) Jun Hong Noh et al.   NANO LETTERS

Sequential deposition as a route to high-performance perovskite-sensitized solar cells

(2013) Julian Burschka et al.   NATURE

Commentary: The Materials Project: A materials genome approach to accelerating materials innovation

(2013) Anubhav Jain et al.   APL Materials

Efficient Hybrid Solar Cells Based on Meso-Superstructured Organometal Halide Perovskites

(2012) M. M. Lee et al.   SCIENCE

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

Organometal Halide Perovskites as Visible-Light Sensitizers for Photovoltaic Cells

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