Nature of the cubic to tetragonal phase transition in methylammonium lead iodide perovskite

Lattice thermal conductivity of organic-inorganic hybrid perovskite CH3NH3PbI3

(2016) Xin Qian et al.   APPLIED PHYSICS LETTERS

Nano-scale polar–nonpolar oxide heterostructures for photocatalysis

(2016) Hongli Guo et al.   Nanoscale

Molecular disorder and translation/rotation coupling in the plastic crystal phase of hybrid perovskites

(2016) J. Even et al.   Nanoscale

Complete structure and cation orientation in the perovskite photovoltaic methylammonium lead iodide between 100 and 352 K

(2015) Mark T. Weller et al.   CHEMICAL COMMUNICATIONS

Bulk crystal growth of hybrid perovskite material CH3NH3PbI3

(2015) Yangyang Dang et al.   CRYSTENGCOMM

Thermal Effects on CH3NH3PbI3 Perovskite from Ab Initio Molecular Dynamics Simulations

(2015) Marcelo A. Carignano et al.   Journal of Physical Chemistry C

Mechanical Origin of the Structural Phase Transition in Methylammonium Lead Iodide CH3NH3PbI3

(2015) Khuong P. Ong et al.   Journal of Physical Chemistry Letters

Ferroelectricity of CH3NH3PbI3 Perovskite

(2015) Zhen Fan et al.   Journal of Physical Chemistry Letters

Highly Reproducible Perovskite Solar Cells with Average Efficiency of 18.3% and Best Efficiency of 19.7% Fabricated via Lewis Base Adduct of Lead(II) Iodide

(2015) Namyoung Ahn et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Electronic structures at the interface between Au and CH3NH3PbI3

(2015) Xiaoliang Liu et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Rotational dynamics of organic cations in the CH3NH3PbI3 perovskite

(2015) Tianran Chen et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Lattice dynamics and vibrational spectra of the orthorhombic, tetragonal, and cubic phases of methylammonium lead iodide

(2015) Federico Brivio et al.   PHYSICAL REVIEW B

High-performance photovoltaic perovskite layers fabricated through intramolecular exchange

(2015) W. S. Yang et al.   SCIENCE

Erratum: Corrigendum: The dynamics of methylammonium ions in hybrid organic–inorganic perovskite solar cells

(2015) Aurelien M.A. Leguy et al.   Nature Communications

Energy Level Offsets at Lead Halide Perovskite/Organic Hybrid Interfaces and Their Impacts on Charge Separation

(2015) Qian-Kun Wang et al.   Advanced Materials Interfaces

Coexisting Surface Phases and Coherent One-Dimensional Interfaces on BaTiO3(001)

(2014) Erie H. Morales et al.   ACS Nano

Interplay of Orientational Order and Electronic Structure in Methylammonium Lead Iodide: Implications for Solar Cell Operation

(2014) Claudio Quarti et al.   CHEMISTRY OF MATERIALS

Van der Waals Epitaxial Growth of Transition Metal Dichalcogenides on Pristine and N-Doped Graphene

(2014) Wissam A. Saidi   CRYSTAL GROWTH & DESIGN

Influence of strain and metal thickness on metal-MoS2 contacts

(2014) Wissam A. Saidi   JOURNAL OF CHEMICAL PHYSICS

Role of Dispersive Interactions in Determining Structural Properties of Organic–Inorganic Halide Perovskites: Insights from First-Principles Calculations

(2014) David A. Egger et al.   Journal of Physical Chemistry Letters

Electronic Structure of TiO2/CH3NH3PbI3 Perovskite Solar Cell Interfaces

(2014) Rebecka Lindblad et al.   Journal of Physical Chemistry Letters

Understanding the Adsorption of CuPc and ZnPc on Noble Metal Surfaces by Combining Quantum-Mechanical Modelling and Photoelectron Spectroscopy

(2014) Yu Huang et al.   MOLECULES

Strong Reciprocal Interaction between Polarization and Surface Stoichiometry in Oxide Ferroelectrics

(2014) Wissam A. Saidi et al.   NANO LETTERS

Cation-Induced Band-Gap Tuning in Organohalide Perovskites: Interplay of Spin–Orbit Coupling and Octahedra Tilting

(2014) Anna Amat et al.   NANO LETTERS

Atomistic Origins of High-Performance in Hybrid Halide Perovskite Solar Cells

(2014) Jarvist M. Frost et al.   NANO LETTERS

Substrate-controlled band positions in CH3NH3PbI3perovskite films

(2014) Elisa M. Miller et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Relativistic quasiparticle self-consistent electronic structure of hybrid halide perovskite photovoltaic absorbers

(2014) Federico Brivio et al.   PHYSICAL REVIEW B

Interface engineering of highly efficient perovskite solar cells

(2014) H. Zhou et al.   SCIENCE

Relativistic GW calculations on CH3NH3PbI3 and CH3NH3SnI3 Perovskites for Solar Cell Applications

(2014) Paolo Umari et al.   Scientific Reports

Molecular ferroelectric contributions to anomalous hysteresis in hybrid perovskite solar cells

(2014) Jarvist M. Frost et al.   APL Materials

Semiconducting Tin and Lead Iodide Perovskites with Organic Cations: Phase Transitions, High Mobilities, and Near-Infrared Photoluminescent Properties

(2013) Constantinos C. Stoumpos et al.   INORGANIC CHEMISTRY

Comparison of the Binding of Polyvinylpyrrolidone and Polyethylene Oxide to Ag Surfaces: Elements of a Successful Structure-Directing Agent

(2013) Ya Zhou et al.   Journal of Physical Chemistry C

Understanding Structure and Bonding of Multilayered Metal–Organic Nanostructures

(2013) David A. Egger et al.   Journal of Physical Chemistry C

First-Principles Modeling of Mixed Halide Organometal Perovskites for Photovoltaic Applications

(2013) Edoardo Mosconi et al.   Journal of Physical Chemistry C

Perovskites: The Emergence of a New Era for Low-Cost, High-Efficiency Solar Cells

(2013) Henry J. Snaith   Journal of Physical Chemistry Letters

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

(2013) Julian Burschka et al.   NATURE

Perovskite-Based Solar Cells

(2013) G. Hodes   SCIENCE

Long-Range Balanced Electron- and Hole-Transport Lengths in Organic-Inorganic CH3NH3PbI3

(2013) G. Xing et al.   SCIENCE

Synthesis and crystal chemistry of the hybrid perovskite (CH3NH3)PbI3 for solid-state sensitised solar cell applications

(2013) Tom Baikie et al.   Journal of Materials Chemistry A

Structural and electronic properties of hybrid perovskites for high-efficiency thin-film photovoltaics from first-principles

(2013) Federico Brivio et al.   APL Materials

Coadsorption properties of CO2 and H2O on TiO2 rutile (110): A dispersion-corrected DFT study

(2012) Dan C. Sorescu et al.   JOURNAL OF CHEMICAL PHYSICS

An Assessment of the vdW-TS Method for Extended Systems

(2012) W. A. Al-Saidi et al.   Journal of Chemical Theory and Computation

Binding of Polyvinylpyrrolidone to Ag Surfaces: Insight into a Structure-Directing Agent from Dispersion-Corrected Density Functional Theory

(2012) Wissam A. Saidi et al.   Journal of Physical Chemistry C

Atomic and Electronic Structure of theBaTiO3(001)(5×5)R26.6°Surface Reconstruction

(2012) John Mark P. Martirez et al.   PHYSICAL REVIEW LETTERS

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

CO2 adsorption on TiO2(110) rutile: Insight from dispersion-corrected density functional theory calculations and scanning tunneling microscopy experiments

(2011) Dan C. Sorescu et al.   JOURNAL OF CHEMICAL PHYSICS

CO2 adsorption on TiO2(101) anatase: A dispersion-corrected density functional theory study

(2011) Dan C. Sorescu et al.   JOURNAL OF CHEMICAL PHYSICS

Adsorption of Polyvinylpyrrolidone on Ag Surfaces: Insight into a Structure-Directing Agent

(2011) W. A. Al-Saidi et al.   NANO LETTERS

Density-Functional Perturbation Theory for Quasi-Harmonic Calculations

(2010) S. Baroni et al.   Reviews in Mineralogy & Geochemistry

Ab initio molecular simulations with numeric atom-centered orbitals

(2009) Volker Blum et al.   COMPUTER PHYSICS COMMUNICATIONS

Efficient integration for all-electron electronic structure calculation using numeric basis functions

(2009) V. Havu et al.   JOURNAL OF COMPUTATIONAL PHYSICS

Organometal Halide Perovskites as Visible-Light Sensitizers for Photovoltaic Cells

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

Accurate Molecular Van Der Waals Interactions from Ground-State Electron Density and Free-Atom Reference Data

(2009) Alexandre Tkatchenko et al.   PHYSICAL REVIEW LETTERS

First-principles calculations of the ferroelastic transition between rutile-type andCaCl2-typeSiO2at high pressures

(2008) Atsushi Togo et al.   PHYSICAL REVIEW B