Bandgap calculations and trends of organometal halide perovskites

Organometal halide perovskites as useful materials in sensitized solar cells

(2014) Surya Prakash Singh et al.   DALTON TRANSACTIONS

Formamidinium lead trihalide: a broadly tunable perovskite for efficient planar heterojunction solar cells

(2014) Giles E. Eperon et al.   Energy & Environmental Science

Chloride Inclusion and Hole Transport Material Doping to Improve Methyl Ammonium Lead Bromide Perovskite-Based High Open-Circuit Voltage Solar Cells

(2014) Eran Edri et al.   Journal of Physical Chemistry Letters

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

(2014) Anna Amat et al.   NANO LETTERS

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

(2014) Paolo Umari et al.   Scientific Reports

High performance hybrid solar cells sensitized by organolead halide perovskites

(2013) Bing Cai 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

Efficient Computational Screening of Organic Polymer Photovoltaics

(2013) Ilana Y. Kanal et al.   Journal of Physical Chemistry Letters

High Open-Circuit Voltage Solar Cells Based on Organic–Inorganic Lead Bromide Perovskite

(2013) Eran Edri et al.   Journal of Physical Chemistry Letters

Planar Heterojunction Perovskite Solar Cells via Vapor-Assisted Solution Process

(2013) Qi Chen et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Efficient Inorganic–Organic Hybrid Perovskite Solar Cells Based on Pyrene Arylamine Derivatives as Hole-Transporting Materials

(2013) Nam Joong Jeon et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

An Inorganic Hole Conductor for Organo-Lead Halide Perovskite Solar Cells. Improved Hole Conductivity with Copper Iodide

(2013) Jeffrey A. Christians et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Stability and bandgaps of layered perovskites for one- and two-photon water splitting

(2013) Ivano E Castelli et al.   NEW JOURNAL OF PHYSICS

Quasiparticle GW calculations for solids, molecules, and two-dimensional materials

(2013) Falco Hüser et al.   PHYSICAL REVIEW B

Study on the stability of CH3NH3PbI3films and the effect of post-modification by aluminum oxide in all-solid-state hybrid solar cells

(2013) Guangda Niu et al.   Journal of Materials Chemistry A

New cubic perovskites for one- and two-photon water splitting using the computational materials repository

(2012) Ivano E. Castelli et al.   Energy & Environmental Science

Charge-transport in tin-iodide perovskite CH3NH3SnI3: origin of high conductivity

(2011) Yukari Takahashi et al.   DALTON TRANSACTIONS

Computational screening of perovskite metal oxides for optimal solar light capture

(2011) Ivano E. Castelli et al.   Energy & Environmental Science

Computational Design and Selection of Optimal Organic Photovoltaic Materials

(2011) Noel M. O’Boyle et al.   Journal of Physical Chemistry C

The Harvard Clean Energy Project: Large-Scale Computational Screening and Design of Organic Photovoltaics on the World Community Grid

(2011) Johannes Hachmann et al.   Journal of Physical Chemistry Letters

High-Throughput Combinatorial Database of Electronic Band Structures for Inorganic Scintillator Materials

(2011) Wahyu Setyawan et al.   ACS Combinatorial Science

Electronic structure calculations with GPAW: a real-space implementation of the projector augmented-wave method

(2010) J Enkovaara et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Kohn-Sham potential with discontinuity for band gap materials

(2010) M. Kuisma et al.   PHYSICAL REVIEW B

yambo: An ab initio tool for excited state calculations

(2009) Andrea Marini et al.   COMPUTER PHYSICS COMMUNICATIONS

QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials

(2009) Paolo Giannozzi et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Organometal Halide Perovskites as Visible-Light Sensitizers for Photovoltaic Cells

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

Ab initioinvestigation of hybrid organic-inorganic perovskites based on tin halides

(2008) Ivo Borriello et al.   PHYSICAL REVIEW B

Combined experimental and theoretical investigation of optical, structural, and electronic properties ofCH3NH3SnX3thin films(X=Cl,Br)

(2008) Fabio Chiarella et al.   PHYSICAL REVIEW B

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

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

The vast colour spectrum of ternary metal oxynitride pigments

(2006) Rosiana Aguiar et al.   DYES AND PIGMENTS