Tunable Semiconductors: Control over Carrier States and Excitations in Layered Hybrid Organic-Inorganic Perovskites

ELSI: A unified software interface for Kohn–Sham electronic structure solvers

(2018) Victor Wen-zhe Yu et al.   COMPUTER PHYSICS COMMUNICATIONS

Electrons, Excitons, and Phonons in Two-Dimensional Hybrid Perovskites: Connecting Structural, Optical, and Electronic Properties

(2018) Daniel B. Straus et al.   Journal of Physical Chemistry Letters

Two-Dimensional Lead(II) Halide-Based Hybrid Perovskites Templated by Acene Alkylamines: Crystal Structures, Optical Properties, and Piezoelectricity

(2017) Ke-zhao Du et al.   INORGANIC CHEMISTRY

Computational Characterization of the Dependence of Halide Perovskite Effective Masses on Chemical Composition and Structure

(2017) Negar Ashari-Astani et al.   Journal of Physical Chemistry C

Broadly tunable metal halide perovskites for solid-state light-emission applications

(2017) Sampson Adjokatse et al.   Materials Today

Efficient perovskite light-emitting diodes featuring nanometre-sized crystallites

(2017) Zhengguo Xiao et al.   Nature Photonics

Understanding band gaps of solids in generalized Kohn–Sham theory

(2017) John P. Perdew et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Iodide management in formamidinium-lead-halide–based perovskite layers for efficient solar cells

(2017) Woon Seok Yang et al.   SCIENCE

The GW approximation: content, successes and limitations

(2017) Lucia Reining   Wiley Interdisciplinary Reviews-Computational Molecular Science

Large guanidinium cation mixed with methylammonium in lead iodide perovskites for 19% efficient solar cells

(2017) Alexander D. Jodlowski et al.   Nature Energy

Chemically diverse and multifunctional hybrid organic–inorganic perovskites

(2017) Wei Li et al.   Nature Reviews Materials

One-hundred-three compound band-structure benchmark of post-self-consistent spin-orbit coupling treatments in density functional theory

(2017) William P. Huhn et al.   PHYSICAL REVIEW MATERIALS

Single Crystal Formamidinium Lead Iodide (FAPbI3 ): Insight into the Structural, Optical, and Electrical Properties

(2016) Qifeng Han et al.   ADVANCED MATERIALS

Organic–Inorganic Perovskites: Structural Versatility for Functional Materials Design

(2016) Bayrammurad Saparov et al.   CHEMICAL REVIEWS

Free Carriers versus Excitons in CH3NH3PbI3 Perovskite Thin Films at Low Temperatures: Charge Transfer from the Orthorhombic Phase to the Tetragonal Phase

(2016) Le Quang Phuong et al.   Journal of Physical Chemistry Letters

Perovskite light-emitting diodes based on solution-processed self-organized multiple quantum wells

(2016) Nana Wang et al.   Nature Photonics

Metal halide perovskite light emitters

(2016) Young-Hoon Kim et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Crystal Engineering of a Two-Dimensional Lead-Free Perovskite with Functional Organic Cations by Second-Sphere Coordination

(2016) Daniele Cortecchia et al.   ChemPlusChem

Interfacial Control Toward Efficient and Low-Voltage Perovskite Light-Emitting Diodes

(2015) Jianpu Wang et al.   ADVANCED MATERIALS

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

Hybrid functionals for large periodic systems in an all-electron, numeric atom-centered basis framework

(2015) Sergey V. Levchenko et al.   COMPUTER PHYSICS COMMUNICATIONS

All-electron formalism for total energy strain derivatives and stress tensor components for numeric atom-centered orbitals

(2015) Franz Knuth et al.   COMPUTER PHYSICS COMMUNICATIONS

Solid-State Physics Perspective on Hybrid Perovskite Semiconductors

(2015) Jacky Even et al.   Journal of Physical Chemistry C

Accurate localized resolution of identity approach for linear-scaling hybrid density functionals and for many-body perturbation theory

(2015) Arvid Conrad Ihrig et al.   NEW JOURNAL OF PHYSICS

Characterization of an abnormal photoluminescence behavior upon crystal-phase transition of perovskite CH3NH3PbI3

(2015) Weiguang Kong et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Overcoming the electroluminescence efficiency limitations of perovskite light-emitting diodes

(2015) H. Cho et al.   SCIENCE

High-performance photovoltaic perovskite layers fabricated through intramolecular exchange

(2015) W. S. Yang et al.   SCIENCE

Revealing the role of organic cations in hybrid halide perovskite CH3NH3PbI3

(2015) Carlo Motta et al.   Nature Communications

Multicolored Organic/Inorganic Hybrid Perovskite Light-Emitting Diodes

(2014) Young-Hoon Kim et al.   ADVANCED MATERIALS

Understanding Quantum Confinement of Charge Carriers in Layered 2D Hybrid Perovskites

(2014) Jacky Even et al.   CHEMPHYSCHEM

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

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

Organohalide lead perovskites for photovoltaic applications

(2014) Peng Gao et al.   Energy & Environmental Science

Long-range correlation energy calculated from coupled atomic response functions

(2014) Alberto Ambrosetti et al.   JOURNAL OF CHEMICAL PHYSICS

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

The ELPA library: scalable parallel eigenvalue solutions for electronic structure theory and computational science

(2014) A Marek et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

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

(2014) Nam Joong Jeon et al.   NATURE MATERIALS

Bright light-emitting diodes based on organometal halide perovskite

(2014) Zhi-Kuang Tan et al.   Nature Nanotechnology

The emergence of perovskite solar cells

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

Hybrid perovskites for photovoltaics: Insights from first principles

(2014) A. Filippetti et al.   PHYSICAL REVIEW B

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

(2014) Federico Brivio et al.   PHYSICAL REVIEW B

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

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

Efficient inorganic–organic hybrid heterojunction solar cells containing perovskite compound and polymeric hole conductors

(2013) Jin Hyuck Heo et al.   Nature Photonics

Perovskite solar cells with a planar heterojunction structure prepared using room-temperature solution processing techniques

(2013) Dianyi Liu et al.   Nature Photonics

Numeric atom-centered-orbital basis sets with valence-correlation consistency from H to Ar

(2013) Igor Ying Zhang et al.   NEW JOURNAL OF PHYSICS

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

(2013) Federico Brivio et al.   APL Materials

Resolution-of-identity approach to Hartree–Fock, hybrid density functionals, RPA, MP2 andGWwith numeric atom-centered orbital basis functions

(2012) Xinguo Ren et al.   NEW JOURNAL OF PHYSICS

Synthesis and optical properties of novel organic–inorganic hybrid nanolayer structure semiconductors

(2009) Sanjun Zhang et al.   ACTA MATERIALIA

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

Cu2ZnSnS4as a potential photovoltaic material: A hybrid Hartree-Fock density functional theory study

(2009) Joachim Paier et al.   PHYSICAL REVIEW B

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

(2009) Alexandre Tkatchenko et al.   PHYSICAL REVIEW LETTERS

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

(2008) Fabio Chiarella et al.   PHYSICAL REVIEW B

Nearly Perfect Triplet-Triplet Energy Transfer from Wannier Excitons to Naphthalene in Organic-Inorganic Hybrid Quantum-Well Materials

(2008) K. Ema et al.   PHYSICAL REVIEW LETTERS