Potential lead-free small band gap halide double perovskites Cs2CuMCl6 (M = Sb, Bi) for green technology

Structural, electronic, optical, thermoelectric, and transport properties of indium-based double perovskite halides Cs2InAgX6 (X = Cl, Br, I) for energy applications

(2021) Fatima Aslam et al.   Applied Physics A

Phase transition and thermoelectric properties of cubic KNbO3 under pressure: DFT approach

(2021) Muhammad Yaseen et al.   Journal of Materials Research and Technology-JMR&T

Scrutinizing the stability and exploring the dependence of thermoelectric properties on band structure of 3d-3d metal-based double perovskites Ba2FeNiO6 and Ba2CoNiO6

(2021) Shabir Ahmad Mir et al.   Scientific Reports

Inorganic Halide Double Perovskites with Optoelectronic Properties Modulated by Sublattice Mixing

(2020) Christopher J. Bartel et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Bayesian optimization based on a unified figure of merit for accelerated materials screening: A case study of halide perovskites

(2020) Xiwen Chen et al.   Science China-Materials

Lead-Free Small-Bandgap Cs2CuSbCl6 Double Perovskite Nanocrystals

(2020) Wei Zhou et al.   Journal of Physical Chemistry Letters

The effects of monovalent metal cations on the crystal and electronic structures of Cs2MBiCl6 (M = Ag, Cu, Na, K, Rb, and Cs) perovskites

(2020) Wenwu Shi et al.   JOURNAL OF CHEMICAL PHYSICS

Small‐band gap halide double perovskite for optoelectronic properties

(2020) Muskan Nabi et al.   INTERNATIONAL JOURNAL OF ENERGY RESEARCH

Electronic and optical properties of lead-free hybrid double perovskites for photovoltaic and optoelectronic applications

(2019) Md Roknuzzaman et al.   Scientific Reports

Potential Applications of Halide Double Perovskite Cs2AgInX6 (X = Cl, Br) in Flexible Optoelectronics: Unusual Effects of Uniaxial Strains

(2019) Zhao Zhang et al.   Journal of Physical Chemistry Letters

Effect of pressure on electronic, magnetic, thermodynamic, and thermoelectric properties of tantalum‐based double perovskites Ba 2 MTaO 6 (M = Mn, Cr)

(2019) Muskan Nabi et al.   INTERNATIONAL JOURNAL OF ENERGY RESEARCH

A Simple Derivation of the Birch–Murnaghan Equations of State (EOSs) and Comparison with EOSs Derived from Other Definitions of Finite Strain

(2019) Tomoo Katsura et al.   Minerals

Magneto-electronic, thermal, and thermoelectric properties of some Co-based quaternary alloys

(2018) Tahir Mohiuddin Bhat et al.   JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS

First-principles study of electronic and optical properties of lead-free double perovskites Cs 2 Na BX 6 ( B = Sb, Bi; X = Cl, Br, I)

(2018) Shuai Zhao et al.   JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS

Electronic, optical and mechanical properties of lead-free halide double perovskites using first-principles density functional theory

(2018) N. Rajeev Kumar et al.   MATERIALS LETTERS

Colloidal Nanocrystals of Lead-Free Double-Perovskite (Elpasolite) Semiconductors: Synthesis and Anion Exchange To Access New Materials

(2018) Sidney E. Creutz et al.   NANO LETTERS

Semi-metals as potential thermoelectric materials

(2018) Maxime Markov et al.   Scientific Reports

Small-Band-Gap Halide Double Perovskites

(2018) Adam H. Slavney et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Elastic, Optoelectronic and Thermoelectric Properties of the Lead-Free Halide Semiconductors Cs2AgBiX 6 (X = Cl, Br): Ab Initio Investigation

(2017) N. Guechi et al.   JOURNAL OF ELECTRONIC MATERIALS

High-Throughput Screening of Lead-Free Perovskite-like Materials for Optoelectronic Applications

(2017) Ankit Jain et al.   Journal of Physical Chemistry C

Double Perovskite Cs2BBiX6 (B = Ag, Cu; X = Br, Cl)/TiO2 Heterojunction: An Efficient Pb-Free Perovskite Interface for Charge Extraction

(2017) Hong-Jian Feng et al.   Journal of Physical Chemistry C

Intrinsic Instability of Cs2In(I)M(III)X6 (M = Bi, Sb; X = Halogen) Double Perovskites: A Combined Density Functional Theory and Experimental Study

(2017) Zewen Xiao et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Design of Lead-Free Inorganic Halide Perovskites for Solar Cells via Cation-Transmutation

(2017) Xin-Gang Zhao et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Progress on lead-free metal halide perovskites for photovoltaic applications: a review

(2017) Sebastian F. Hoefler et al.   MONATSHEFTE FUR CHEMIE

Engineering band gap and electronic transport in organic–inorganic halide perovskites by superlattices

(2017) Rahul Singh et al.   Nanoscale

Colloidally prepared La-doped BaSnO 3 electrodes for efficient, photostable perovskite solar cells

(2017) Seong Sik Shin et al.   SCIENCE

High throughput combinatorial method for fast and robust prediction of lattice thermal conductivity

(2017) Pinku Nath et al.   SCRIPTA MATERIALIA

Composition design, optical gap and stability investigations of lead-free halide double perovskite Cs2AgInCl6

(2017) Jun Zhou et al.   Journal of Materials Chemistry A

New stable ternary alkaline-earth metal Pb(II) oxides: Ca/Sr/BaPb2O3 and BaPbO2

(2017) Yuwei Li et al.   PHYSICAL REVIEW MATERIALS

High-Figure-of-Merit Thermoelectric La-Doped A-Site-Deficient SrTiO3 Ceramics

(2016) Zhilun Lu et al.   CHEMISTRY OF MATERIALS

Cs2AgBiX6 (X = Br, Cl): New Visible Light Absorbing, Lead-Free Halide Perovskite Semiconductors

(2016) Eric T. McClure et al.   CHEMISTRY OF MATERIALS

Transport, Structural and Mechanical Properties of Quaternary FeVTiAl Alloy

(2016) Tahir Mohiuddin Bhat et al.   JOURNAL OF ELECTRONIC MATERIALS

Lead-Free Halide Double Perovskites via Heterovalent Substitution of Noble Metals

(2016) George Volonakis et al.   Journal of Physical Chemistry Letters

ELATE: an open-source online application for analysis and visualization of elastic tensors

(2016) Romain Gaillac et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Transport properties of Co-based Heusler compounds Co2VAl and Co2VGa: spin-polarized DFT+U

(2016) A. H. Reshak   RSC Advances

Correlation of energy disorder and open-circuit voltage in hybrid perovskite solar cells

(2016) Yuchuan Shao et al.   Nature Energy

Structural, anisotropic elastic and thermal properties of MB (M=Ti, Zr and Hf) monoborides

(2015) Bo Huang et al.   CERAMICS INTERNATIONAL

DFT study of structural, elastic properties and thermodynamic parameters of Bi 2 S 3 under hydrostatic pressures

(2015) Ehsan Zahedi et al.   COMPUTATIONAL MATERIALS SCIENCE

Strategies for engineering phonon transport in thermoelectrics

(2015) Woochul Kim   Journal of Materials Chemistry C

Elastic constants of cubic crystals

(2014) M. Jamal et al.   COMPUTATIONAL MATERIALS SCIENCE

Efficient planar heterojunction perovskite solar cells by vapour deposition

(2013) Mingzhen Liu et al.   NATURE

Efficient Hybrid Solar Cells Based on Meso-Superstructured Organometal Halide Perovskites

(2012) M. M. Lee et al.   SCIENCE

Gibbs2: A new version of the quasiharmonic model code. II. Models for solid-state thermodynamics, features and implementation

(2011) A. Otero-de-la-Roza et al.   COMPUTER PHYSICS COMMUNICATIONS

First-principles calculations of electronic, optical and elastic properties of ZnAl2S4 and ZnGa2O4

(2010) M.G. Brik   JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS

Organometal Halide Perovskites as Visible-Light Sensitizers for Photovoltaic Cells

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

Universal Elastic Anisotropy Index

(2008) Shivakumar I. Ranganathan et al.   PHYSICAL REVIEW LETTERS