Anharmonicity and Ultralow Thermal Conductivity in Lead-Free Halide Double Perovskites

Particlelike Phonon Propagation Dominates Ultralow Lattice Thermal Conductivity in Crystalline Tl3VSe4

(2020) Yi Xia et al.   PHYSICAL REVIEW LETTERS

Anharmonic lattice dynamics and superionic transition in AgCrSe2

(2020) Jingxuan Ding et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Thermochromic Lead-Free Halide Double Perovskites

(2019) Weihua Ning et al.   ADVANCED FUNCTIONAL MATERIALS

Phonon Collapse and Second-Order Phase Transition in Thermoelectric SnSe

(2019) Unai Aseginolaza et al.   PHYSICAL REVIEW LETTERS

Origin of ultra-low lattice thermal conductivity in Cs 2 BiAg X 6 ( X =Cl, Br) and its impact on thermoelectric performance

(2018) Enamul Haque et al.   JOURNAL OF ALLOYS AND COMPOUNDS

Entropy in halide perovskites

(2018) Claudine Katan et al.   NATURE MATERIALS

Two-channel model for ultralow thermal conductivity of crystalline Tl3VSe4

(2018) Saikat Mukhopadhyay et al.   SCIENCE

Octahedral tilting instabilities in inorganic halide perovskites

(2018) Jonathon S. Bechtel et al.   PHYSICAL REVIEW MATERIALS

Giant Electron–Phonon Coupling and Deep Conduction Band Resonance in Metal Halide Double Perovskite

(2018) Julian A. Steele et al.   ACS Nano

Photophysical Pathways in Highly Sensitive Cs2 AgBiBr6 Double-Perovskite Single-Crystal X-Ray Detectors

(2018) Julian A. Steele et al.   ADVANCED MATERIALS

Depressed Phase Transitions and Thermally Persistent Local Distortions in CsPbBr3 Quantum Dots

(2018) Patrick Cottingham et al.   CHEMISTRY OF MATERIALS

Carrier Lifetimes and Polaronic Mass Enhancement in the Hybrid Halide Perovskite CH3NH3PbI3 from Multiphonon Fröhlich Coupling

(2018) Martin Schlipf et al.   PHYSICAL REVIEW LETTERS

Electron-Phonon Scattering in the Presence of Soft Modes and Electron Mobility in SrTiO3 Perovskite from First Principles

(2018) Jin-Jian Zhou et al.   PHYSICAL REVIEW LETTERS

Acoustic phonon lifetimes limit thermal transport in methylammonium lead iodide

(2018) Aryeh Gold-Parker et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Structural and Optical Properties of Cs2AgBiBr6 Double Perovskite

(2018) Laura Schade et al.   ACS Energy Letters

Critical Fluctuations and Anharmonicity in Lead Iodide Perovskites from Molecular Dynamics Supercell Simulations

(2017) Marcelo A. Carignano et al.   Journal of Physical Chemistry C

Spontaneous Octahedral Tilting in the Cubic Inorganic Cesium Halide Perovskites CsSnX3 and CsPbX3 (X = F, Cl, Br, I)

(2017) Ruo Xi Yang et al.   Journal of Physical Chemistry Letters

Intrinsic Rattler-Induced Low Thermal Conductivity in Zintl Type TlInTe2

(2017) Manoj K. Jana et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Cu–In Halide Perovskite Solar Absorbers

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

Local Polar Fluctuations in Lead Halide Perovskite Crystals

(2017) Omer Yaffe et al.   PHYSICAL REVIEW LETTERS

Ultralow thermal conductivity in all-inorganic halide perovskites

(2017) Woochul Lee et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Understanding the physical properties of hybrid perovskites for photovoltaic applications

(2017) Jinsong Huang et al.   Nature Reviews Materials

Concerted Rattling in CsAg5 Te3 Leading to Ultralow Thermal Conductivity and High Thermoelectric Performance

(2016) Hua Lin et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Band Gaps of the Lead-Free Halide Double Perovskites Cs2BiAgCl6 and Cs2BiAgBr6 from Theory and Experiment

(2016) Marina R. Filip et al.   Journal of Physical Chemistry Letters

Lead-Free Halide Double Perovskites via Heterovalent Substitution of Noble Metals

(2016) George Volonakis et al.   Journal of Physical Chemistry Letters

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

Electron–phonon coupling in hybrid lead halide perovskites

(2016) Adam D. Wright et al.   Nature Communications

Direct Observation of Dynamic Symmetry Breaking above Room Temperature in Methylammonium Lead Iodide Perovskite

(2016) Alexander N. Beecher et al.   ACS Energy Letters

Orbitally driven giant phonon anharmonicity in SnSe

(2015) C. W. Li et al.   Nature Physics

Thermal conductivity in PbTe from first principles

(2015) A. H. Romero et al.   PHYSICAL REVIEW B

Prediction of Low-Thermal-Conductivity Compounds with First-Principles Anharmonic Lattice-Dynamics Calculations and Bayesian Optimization

(2015) Atsuto Seko et al.   PHYSICAL REVIEW LETTERS

Impact of Rattlers on Thermal Conductivity of a Thermoelectric Clathrate: A First-Principles Study

(2015) Terumasa Tadano et al.   PHYSICAL REVIEW LETTERS

Revealing the role of organic cations in hybrid halide perovskite CH3NH3PbI3

(2015) Carlo Motta et al.   Nature Communications

Review of recent progress in chemical stability of perovskite solar cells

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

The emergence of perovskite solar cells

(2014) Martin A. Green et al.   Nature Photonics

Temperature dependence of TiN elastic constants fromab initiomolecular dynamics simulations

(2013) Peter Steneteg et al.   PHYSICAL REVIEW B

Temperature dependent effective potential method for accurate free energy calculations of solids

(2013) Olle Hellman et al.   PHYSICAL REVIEW B

Temperature-dependent effective third-order interatomic force constants from first principles

(2013) Olle Hellman et al.   PHYSICAL REVIEW B

Lattice dynamics of anharmonic solids from first principles

(2011) O. Hellman et al.   PHYSICAL REVIEW B

Avoided crossing of rattler modes in thermoelectric materials

(2008) Mogens Christensen et al.   NATURE MATERIALS

Complex thermoelectric materials

(2008) G. Jeffrey Snyder et al.   NATURE MATERIALS

Restoring the Density-Gradient Expansion for Exchange in Solids and Surfaces

(2008) John P. Perdew et al.   PHYSICAL REVIEW LETTERS