Role of hydrogen-bonding and its interplay with octahedral tilting in CH3NH3PbI3

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

Elastic properties and acoustic dissipation associated with a disorder–order ferroelectric transition in a metal–organic framework

(2015) Zhiying Zhang et al.   CRYSTENGCOMM

First-Principles Study of Lead Iodide Perovskite Tetragonal and Orthorhombic Phases for Photovoltaics

(2014) Wei Geng et al.   Journal of Physical Chemistry C

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

Crystal Structures, Optical Properties, and Effective Mass Tensors of CH3NH3PbX3 (X = I and Br) Phases Predicted from HSE06

(2014) Jing Feng et al.   Journal of Physical Chemistry Letters

Self-consistent relativistic band structure of theCH3NH3PbI3perovskite

(2014) E. Menéndez-Proupin et al.   PHYSICAL REVIEW B

Solid-state principles applied to organic–inorganic perovskites: new tricks for an old dog

(2014) Gregor Kieslich et al.   Chemical Science

Molecular ferroelectric contributions to anomalous hysteresis in hybrid perovskite solar cells

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

Critic2: A program for real-space analysis of quantum chemical interactions in solids

(2013) A. Otero-de-la-Roza et al.   COMPUTER PHYSICS COMMUNICATIONS

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

Density functional theory analysis of structural and electronic properties of orthorhombic perovskite CH3NH3PbI3

(2013) Yun Wang et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

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

Hydrogen Bonds and van der Waals Forces in Ice at Ambient and High Pressures

(2011) Biswajit Santra et al.   PHYSICAL REVIEW LETTERS

Mechanism of the order-disorder phase transition, and glassy behavior in the metal-organic framework [(CH3)2NH2]Zn(HCOO)3

(2011) T. Besara et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Quantum nature of the hydrogen bond

(2011) X.-Z. Li et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Critic: a new program for the topological analysis of solid-state electron densities

(2008) A. Otero-de-la-Roza et al.   COMPUTER PHYSICS COMMUNICATIONS