A2AgCrBr6 (A = K, Rb, Cs) and Cs2AgCrX6(X = Cl, I) Double Perovskites: A Transition-Metal-Based Semiconducting Material Series with Remarkable Optics

Significance of hydrogen bonding and other noncovalent interactions in determining octahedral tilting in the CH3NH3PbI3 hybrid organic-inorganic halide perovskite solar cell semiconductor

(2019) Pradeep R. Varadwaj et al.   Scientific Reports

New tolerance factor to predict the stability of perovskite oxides and halides

(2019) Christopher J. Bartel et al.   Science Advances

Dielectric and ferroic properties of metal halide perovskites

(2019) Jacob N. Wilson et al.   APL Materials

Lead-Free Halide Double Perovskite Materials: A New Superstar Toward Green and Stable Optoelectronic Applications

(2019) Liang Chu et al.   Nano-Micro Letters

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

(2019) Md Roknuzzaman et al.   Scientific Reports

Yb- and Mn-Doped Lead-Free Double Perovskite Cs2AgBiX6 (X = Cl–, Br–) Nanocrystals

(2019) Na Chen et al.   ACS Applied Materials & Interfaces

High-throughput Computational Study of Halide Double Perovskite Inorganic Compounds

(2019) Yao Cai et al.   CHEMISTRY OF MATERIALS

Optical properties of the zinc-tellurite glasses doped with Cr3+ ions

(2019) E.V. Zamyatina et al.   JOURNAL OF NON-CRYSTALLINE SOLIDS

Highly Efficient Blue-Emitting Bi-Doped Cs2 SnCl6 Perovskite Variant: Photoluminescence Induced by Impurity Doping

(2018) Zhifang Tan et al.   ADVANCED FUNCTIONAL MATERIALS

Synthesis and luminescence of Mn-doped Cs2AgInCl6 double perovskites

(2018) Nila Nandha K. et al.   CHEMICAL COMMUNICATIONS

Revealing the Chemistry between Band Gap and Binding Energy for Lead-/Tin-Based Trihalide Perovskite Solar Cell Semiconductors

(2018) Arpita Varadwaj et al.   ChemSusChem

Complementary evaluation of structure stability of perovskite oxides using bond-valence and density-functional-theory calculations

(2018) Ikuya Yamada et al.   SCIENCE AND TECHNOLOGY OF ADVANCED MATERIALS

High-efficiency and air-stable photodetectors based on lead-free double perovskite Cs2AgBiBr6 thin films

(2018) Ling-Zhi Lei et al.   Journal of Materials Chemistry C

Revealing the Cooperative Chemistry of the Organic Cation in the Methylammonium Lead Triiodide Perovskite Semiconductor System

(2018) Arpita Varadwaj et al.   ChemistrySelect

Efficient first-principles prediction of solid stability: Towards chemical accuracy

(2018) Yubo Zhang et al.   npj Computational Materials

Double perovskites overtaking the single perovskites: A set of new solar harvesting materials with much higher stability and efficiency

(2018) Jiban Kangsabanik et al.   PHYSICAL REVIEW MATERIALS

Halogen in materials design: Chloroammonium lead triiodide perovskite (ClNH3 PbI3 ) a dynamical bandgap semiconductor in 3D for photovoltaics

(2018) Pradeep R. Varadwaj et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Colloidal Synthesis of Double Perovskite Cs2AgInCl6 and Mn-Doped Cs2AgInCl6 Nanocrystals

(2018) Federico Locardi et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Lead-free halide double perovskite-polymer composites for flexible X-ray imaging

(2018) Haoran Li et al.   Journal of Materials Chemistry C

Cu(II)-Doped Cs2SbAgCl6 Double Perovskite: A Lead-Free, Low-Bandgap Material

(2018) Abhoy Karmakar et al.   CHEMISTRY OF MATERIALS

Efficient and stable emission of warm-white light from lead-free halide double perovskites

(2018) Jiajun Luo et al.   NATURE

Hexagonal Double Perovskite Cs2 AgCrCl6

(2018) Yuqiao Zhou et al.   ZEITSCHRIFT FUR ANORGANISCHE UND ALLGEMEINE CHEMIE

Intrinsic Defect Properties in Halide Double Perovskites for Optoelectronic Applications

(2018) Tianshu Li et al.   Physical Review Applied

Predicting accurate cathode properties of layered oxide materials using the SCAN meta-GGA density functional

(2018) Arup Chakraborty et al.   npj Computational Materials

Methylammonium Lead Trihalide Perovskite Solar Cell Semiconductors Are Not Organometallic: A Perspective

(2017) Pradeep R. Varadwaj   HELVETICA CHIMICA ACTA

Hybrid organic-inorganic CH3 NH3 PbI3 perovskite building blocks: Revealing ultra-strong hydrogen bonding and mulliken inner complexes and their implications in materials design

(2017) Arpita Varadwaj et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

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

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

Cs2InAgCl6: A New Lead-Free Halide Double Perovskite with Direct Band Gap

(2017) George Volonakis et al.   Journal of Physical Chemistry Letters

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

Cu–In Halide Perovskite Solar Absorbers

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

Assessing Density Functionals Using Many Body Theory for Hybrid Perovskites

(2017) Menno Bokdam et al.   PHYSICAL REVIEW LETTERS

Method to control the optical properties: Band gap energy of mixed halide Organolead perovskites

(2017) Blessing N. Ezealigo et al.   Arabian Journal of Chemistry

Updating the road map to metal-halide perovskites for photovoltaics

(2017) Peter D. Matthews et al.   Journal of Materials Chemistry A

Highly stable, phase pure Cs2AgBiBr6 double perovskite thin films for optoelectronic applications

(2017) Enrico Greul et al.   Journal of Materials Chemistry A

Characterization of Thin Film Materials using SCAN meta-GGA, an Accurate Nonempirical Density Functional

(2017) I. G. Buda et al.   Scientific Reports

Effects of oxygen vacancies on the structural and optical properties of β-Ga2O3

(2017) Linpeng Dong et al.   Scientific Reports

Intriguing Optoelectronic Properties of Metal Halide Perovskites

(2016) Joseph S. Manser et al.   CHEMICAL REVIEWS

Accurate first-principles structures and energies of diversely bonded systems from an efficient density functional

(2016) Jianwei Sun et al.   Nature Chemistry

Toxicity of organometal halide perovskite solar cells

(2016) Aslihan Babayigit et al.   NATURE MATERIALS

Versatile van der Waals Density Functional Based on a Meta-Generalized Gradient Approximation

(2016) Haowei Peng et al.   Physical Review X

Large dielectric constant, high acceptor density, and deep electron traps in perovskite solar cell material CsGeI3

(2016) Wenmei Ming et al.   Journal of Materials Chemistry A

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

(2015) Aron Walsh   Journal of Physical Chemistry C

Ultralow Absorption Coefficient and Temperature Dependence of Radiative Recombination of CH3NH3PbI3 Perovskite from Photoluminescence

(2015) Chog Barugkin et al.   Journal of Physical Chemistry Letters

Perovskite solar cells: an emerging photovoltaic technology

(2015) Nam-Gyu Park   Materials Today

Solar Cells: Perovskite Solar Cells: From Materials to Devices (Small 1/2015)

(2015) Hyun Suk Jung et al.   Small

Identifying defect-tolerant semiconductors with high minority-carrier lifetimes: beyond hybrid lead halide perovskites

(2015) Riley E. Brandt et al.   MRS Communications

Optical properties of organometal halide perovskite thin films and general device structure design rules for perovskite single and tandem solar cells

(2015) Chang-Wen Chen et al.   Journal of Materials Chemistry A

Defect Tolerant Semiconductors for Solar Energy Conversion

(2014) Andriy Zakutayev et al.   Journal of Physical Chemistry Letters

Optical properties of two-dimensional honeycomb crystals graphene, silicene, germanene, and tinene from first principles

(2014) L Matthes et al.   NEW JOURNAL OF PHYSICS

Optical conductivity and optical effective mass in a high-mobility organic semiconductor: Implications for the nature of charge transport

(2014) Yuan Li et al.   PHYSICAL REVIEW B

Can we predict the formability of perovskite oxynitrides from tolerance and octahedral factors?

(2013) Wenjie Li et al.   Journal of Materials Chemistry A

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

(2013) Federico Brivio et al.   APL Materials

First Principles Calculations of Electronic Band Structure and Optical Properties of Cr-Doped ZnO

(2009) Luyan Li et al.   Journal of Physical Chemistry C

Organometal Halide Perovskites as Visible-Light Sensitizers for Photovoltaic Cells

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

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

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