4.6 Article

Stability and electronic properties of new inorganic perovskites from high-throughput ab initio calculations

相关参考文献

注意:仅列出部分参考文献,下载原文获取全部文献信息。
Article Chemistry, Multidisciplinary

Alternative, Lead-free, Hybrid Organic-Inorganic Perovskites for Solar Applications: A DFT Analysis

Giacomo Giorgi et al.

CHEMISTRY LETTERS (2015)

Article Chemistry, Physical

Prediction of Stable Nitride Perovskites

Rafael Sarmiento-Perez et al.

CHEMISTRY OF MATERIALS (2015)

Article Chemistry, Physical

Ferroelectric Polarization of CH3NH3PbI3: A Detailed Study Based on Density Functional Theory and Symmetry Mode Analysis

Alessandro Stroppa et al.

JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2015)

Article Chemistry, Multidisciplinary

Chalcogenide Perovskites for Photovoltaics

Yi-Yang Sun et al.

NANO LETTERS (2015)

Review Nanoscience & Nanotechnology

Metal-halide perovskites for photovoltaic and light-emitting devices

Samuel D. Stranks et al.

NATURE NANOTECHNOLOGY (2015)

Article Chemistry, Physical

Tin perovskite/fullerene planar layer photovoltaics: improving the efficiency and stability of lead-free devices

Kenneth P. Marshall et al.

JOURNAL OF MATERIALS CHEMISTRY A (2015)

Review Chemistry, Physical

Halide perovskite materials for solar cells: a theoretical review

Wan-Jian Yin et al.

JOURNAL OF MATERIALS CHEMISTRY A (2015)

Article Chemistry, Physical

Temperature dependence of hole conductor free formamidinium lead iodide perovskite based solar cells

Sigalit Aharon et al.

JOURNAL OF MATERIALS CHEMISTRY A (2015)

Review Chemistry, Physical

Review of recent progress in chemical stability of perovskite solar cells

Guangda Niu et al.

JOURNAL OF MATERIALS CHEMISTRY A (2015)

Article Physics, Applied

Strain effects on the band gap and optical properties of perovskite SrSnO3 and BaSnO3

David J. Singh et al.

APPLIED PHYSICS LETTERS (2014)

Article Chemistry, Multidisciplinary

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

Giles E. Eperon et al.

ENERGY & ENVIRONMENTAL SCIENCE (2014)

Article Chemistry, Physical

The structural diversity of ABS3 compounds with d0 electronic configuration for the B-cation

John A. Brehm et al.

JOURNAL OF CHEMICAL PHYSICS (2014)

Article Chemistry, Multidisciplinary

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

Jarvist M. Frost et al.

NANO LETTERS (2014)

Article Materials Science, Multidisciplinary

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

Federico Brivio et al.

PHYSICAL REVIEW B (2014)

Article Multidisciplinary Sciences

Rational design of all organic polymer dielectrics

Vinit Sharma et al.

NATURE COMMUNICATIONS (2014)

Article Multidisciplinary Sciences

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

Marina R. Filip et al.

NATURE COMMUNICATIONS (2014)

Article Chemistry, Multidisciplinary

Structural transition and unusually strong antiferromagnetic superexchange coupling in perovskite KAgF3

Dominik Kurzydlowski et al.

CHEMICAL COMMUNICATIONS (2013)

Article Chemistry, Physical

First-principles structural design of superhard materials

Xinxin Zhang et al.

JOURNAL OF CHEMICAL PHYSICS (2013)

Article Chemistry, Physical

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

Jacky Even et al.

JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2013)

Article Physics, Multidisciplinary

Ab initio screening methodology applied to the search for new permanent magnetic materials

Nedko Drebov et al.

NEW JOURNAL OF PHYSICS (2013)

Article Materials Science, Multidisciplinary

Electronic band structure, phonons, and exciton binding energies of halide perovskites CsSnCl3, CsSnBr3, and CsSnI3

Ling-yi Huang et al.

PHYSICAL REVIEW B (2013)

Article Multidisciplinary Sciences

Identification and design principles of low hole effective mass p-type transparent conducting oxides

Geoffroy Hautier et al.

NATURE COMMUNICATIONS (2013)

Article Chemistry, Multidisciplinary

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

Ivano E. Castelli et al.

ENERGY & ENVIRONMENTAL SCIENCE (2012)

Article Chemistry, Multidisciplinary

Computational screening of perovskite metal oxides for optimal solar light capture

Ivano E. Castelli et al.

ENERGY & ENVIRONMENTAL SCIENCE (2012)

Article Multidisciplinary Sciences

All-solid-state dye-sensitized solar cells with high efficiency

In Chung et al.

NATURE (2012)

Article Chemistry, Multidisciplinary

VESTA 3 for three-dimensional visualization of crystal, volumetric and morphology data

Koichi Momma et al.

JOURNAL OF APPLIED CRYSTALLOGRAPHY (2011)

Article Materials Science, Multidisciplinary

Screening for high-performance piezoelectrics using high-throughput density functional theory

Rickard Armiento et al.

PHYSICAL REVIEW B (2011)

Article Chemistry, Multidisciplinary

Organometal Halide Perovskites as Visible-Light Sensitizers for Photovoltaic Cells

Akihiro Kojima et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2009)

Article Materials Science, Multidisciplinary

Ab initio materials design for transparent-conducting-oxide-based new-functional materials

H. Katayama-Yoshida et al.

APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING (2007)

Article Physics, Applied

Prediction of polar ordered oxynitride perovskites

Razvan Caracas et al.

APPLIED PHYSICS LETTERS (2007)

Article Materials Science, Multidisciplinary

Structural, photocatalytic, and photophysical properties of perovskite MSnO3 (M = Ca, Sr, and Ba) photocatalysts

Weifeng Zhang et al.

JOURNAL OF MATERIALS RESEARCH (2007)

Article Computer Science, Interdisciplinary Applications

BoltzTraP. A code for calculating band-structure dependent quantities

Georg K. H. Madsen et al.

COMPUTER PHYSICS COMMUNICATIONS (2006)

Article Materials Science, Multidisciplinary

Linear optical properties in the projector-augmented wave methodology

M Gajdos et al.

PHYSICAL REVIEW B (2006)

Article Chemistry, Physical

Hybrid functionals based on a screened Coulomb potential

J Heyd et al.

JOURNAL OF CHEMICAL PHYSICS (2003)

Article Multidisciplinary Sciences

Epitaxial BiFeO3 multiferroic thin film heterostructures

J Wang et al.

SCIENCE (2003)