A computational view of the change in the geometric and electronic properties of perovskites caused by the partial substitution of Pb by Sn

Principles of Chemical Bonding and Band Gap Engineering in Hybrid Organic–Inorganic Halide Perovskites

(2015) Aron Walsh   Journal of Physical Chemistry C

Perovskite Solar Cells: Beyond Methylammonium Lead Iodide

(2015) Pablo P. Boix et al.   Journal of Physical Chemistry Letters

Ferroelectric Domain Wall Induced Band Gap Reduction and Charge Separation in Organometal Halide Perovskites

(2015) Shi Liu et al.   Journal of Physical Chemistry Letters

Electronic and optical properties of mixed Sn–Pb organohalide perovskites: a first principles investigation

(2015) Edoardo Mosconi et al.   Journal of Materials Chemistry A

Mesoscopic photosystems for solar light harvesting and conversion: facile and reversible transformation of metal-halide perovskites

(2015) Hauke Arne Harms et al.   FARADAY DISCUSSIONS

Origin of High Photocatalytic Properties in the Mixed-Phase TiO2: A First-Principles Theoretical Study

(2014) Ming-Gang Ju et al.   ACS Applied Materials & Interfaces

Lead-free organic–inorganic tin halide perovskites for photovoltaic applications

(2014) Nakita K. Noel et al.   Energy & Environmental Science

Voltage output of efficient perovskite solar cells with high open-circuit voltage and fill factor

(2014) Seungchan Ryu et al.   Energy & Environmental Science

Cation Role in Structural and Electronic Properties of 3D Organic–Inorganic Halide Perovskites: A DFT Analysis

(2014) Giacomo Giorgi et al.   Journal of Physical Chemistry C

CH3NH3SnxPb(1–x)I3 Perovskite Solar Cells Covering up to 1060 nm

(2014) Yuhei Ogomi et al.   Journal of Physical Chemistry Letters

Termination Dependence of Tetragonal CH3NH3PbI3 Surfaces for Perovskite Solar Cells

(2014) Jun Haruyama et al.   Journal of Physical Chemistry Letters

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

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

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

Anomalous Band Gap Behavior in Mixed Sn and Pb Perovskites Enables Broadening of Absorption Spectrum in Solar Cells

(2014) Feng Hao et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Materials Processing Routes to Trap-Free Halide Perovskites

(2014) Andrei Buin 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

Solvent engineering for high-performance inorganic–organic hybrid perovskite solar cells

(2014) Nam Joong Jeon et al.   NATURE MATERIALS

Lead-free solid-state organic–inorganic halide perovskite solar cells

(2014) Feng Hao et al.   Nature Photonics

High-temperature ferroelectricity and strong magnetoelectric effects in a hybrid organic-inorganic perovskite framework

(2014) Ying Tian et al.   Physica Status Solidi-Rapid Research Letters

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

(2014) Federico Brivio et al.   PHYSICAL REVIEW B

A hole-conductor-free, fully printable mesoscopic perovskite solar cell with high stability

(2014) A. Mei et al.   SCIENCE

Interface engineering of highly efficient perovskite solar cells

(2014) H. Zhou et al.   SCIENCE

Steric engineering of metal-halide perovskites with tunable optical band gaps

(2014) Marina R. Filip et al.   Nature Communications

Tunable ferroelectric polarization and its interplay with spin–orbit coupling in tin iodide perovskites

(2014) Alessandro Stroppa et al.   Nature Communications

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

(2014) Paolo Umari et al.   Scientific Reports

Cross coupling between electric and magnetic orders in a multiferroic metal-organic framework

(2014) Ying Tian et al.   Scientific Reports

Tuning the energy band-gap of crystalline gallium oxide to enhance photocatalytic water splitting: mixed-phase junctions

(2014) Ming-Gang Ju et al.   Journal of Materials Chemistry A

Depleted hole conductor-free lead halide iodide heterojunction solar cells

(2013) Waleed Abu Laban et al.   Energy & Environmental Science

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

Importance of Spin–Orbit Coupling in Hybrid Organic/Inorganic Perovskites for Photovoltaic Applications

(2013) Jacky Even et al.   Journal of Physical Chemistry Letters

Tuning the Ferroelectric Polarization in a Multiferroic Metal–Organic Framework

(2013) Domenico Di Sante et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

High Efficiency Solid-State Sensitized Solar Cell-Based on Submicrometer Rutile TiO2 Nanorod and CH3NH3PbI3 Perovskite Sensitizer

(2013) Hui-Seon Kim et al.   NANO LETTERS

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

(2013) Julian Burschka et al.   NATURE

Efficient planar heterojunction perovskite solar cells by vapour deposition

(2013) Mingzhen Liu et al.   NATURE

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

Mesoscopic CH3NH3PbI3/TiO2 Heterojunction Solar Cells

(2012) Lioz Etgar et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

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

6.5% efficient perovskite quantum-dot-sensitized solar cell

(2011) Jeong-Hyeok Im et al.   Nanoscale

A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu

(2010) Stefan Grimme et al.   JOURNAL OF CHEMICAL PHYSICS

Multiferroic Behavior Associated with an Order−Disorder Hydrogen Bonding Transition in Metal−Organic Frameworks (MOFs) with the Perovskite ABX3Architecture

(2009) Prashant Jain et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Organometal Halide Perovskites as Visible-Light Sensitizers for Photovoltaic Cells

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