Bandgap tuning and thermoelectric characteristics of Sc-based double halide perovskites K2ScAgZ6 (Z = Cl, Br, I) for solar cells applications

Panchromatic heterojunction solar cells for Pb-free all-inorganic antimony based perovskite

(2021) Anupriya Singh et al.   CHEMICAL ENGINEERING JOURNAL

Origin of pseudo gap and thermoelectric signatures of semimetallic Ru2TaGa: Structural stability from phonon dynamics, mechanical, and thermodynamic predictions

(2021) Shakeel Ahmad Khandy et al.   JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS

Thermoelectric properties, phonon, and mechanical stability of new half-metallic quaternary Heusler alloys: FeRhCrZ (Z = Si and Ge)

(2020) Shakeel Ahmad Khandy et al.   JOURNAL OF APPLIED PHYSICS

qvasp: A flexible toolkit for VASP users in materials simulations

(2020) Wencai Yi et al.   COMPUTER PHYSICS COMMUNICATIONS

Strain engineering of electronic structure, phonon, and thermoelectric properties of p-type half-Heusler semiconductor

(2020) Shakeel Ahmad Khandy et al.   JOURNAL OF ALLOYS AND COMPOUNDS

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

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

First-principles calculations of the oxygen-diffusion mechanism in mixed Fe/Ti perovskites for solid-oxide fuel cells

(2019) Chunfeng Lan et al.   CERAMICS INTERNATIONAL

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

Revealing optoelectronic and transport properties of potential perovskites Cs 2 PdX 6 (X = Cl, Br): A probe from density functional theory (DFT)

(2018) K.C. Bhamu et al.   SOLAR ENERGY

Effect of metal doping on the visible light absorption, electronic structure and mechanical properties of non-toxic metal halide CsGeCl3

(2018) Md. Zahidur Rahaman et al.   RSC Advances

Parity-Forbidden Transitions and Their Impact on the Optical Absorption Properties of Lead-Free Metal Halide Perovskites and Double Perovskites

(2017) Weiwei Meng et al.   Journal of Physical Chemistry Letters

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

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

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

Cs2AgInCl6 Double Perovskite Single Crystals: Parity Forbidden Transitions and Their Application For Sensitive and Fast UV Photodetectors

(2017) Jiajun Luo et al.   ACS Photonics

All-inorganic cesium lead halide perovskite nanocrystals for photodetector applications

(2016) Parthiban Ramasamy et al.   CHEMICAL COMMUNICATIONS

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

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

Band Gaps of the Lead-Free Halide Double Perovskites Cs2BiAgCl6 and Cs2BiAgBr6 from Theory and Experiment

(2016) Marina R. Filip et al.   Journal of Physical Chemistry Letters

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

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

A Bismuth-Halide Double Perovskite with Long Carrier Recombination Lifetime for Photovoltaic Applications

(2016) Adam H. Slavney et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Toxicity of organometal halide perovskite solar cells

(2016) Aslihan Babayigit et al.   NATURE MATERIALS

Exploring the properties of lead-free hybrid double perovskites using a combined computational-experimental approach

(2016) Zeyu Deng et al.   Journal of Materials Chemistry A

Can Pb-Free Halide Double Perovskites Support High-Efficiency Solar Cells?

(2016) Christopher N. Savory et al.   ACS Energy Letters

Strongly emissive perovskite nanocrystal inks for high-voltage solar cells

(2016) Quinten A. Akkerman et al.   Nature Energy

Metal halide perovskites for energy applications

(2016) Wei Zhang et al.   Nature Energy

Assessing the toxicity of Pb- and Sn-based perovskite solar cells in model organism Danio rerio

(2016) Aslihan Babayigit et al.   Scientific Reports

The Importance of Moisture in Hybrid Lead Halide Perovskite Thin Film Fabrication

(2015) Giles E. Eperon et al.   ACS Nano

First principles phonon calculations in materials science

(2015) Atsushi Togo et al.   SCRIPTA MATERIALIA

Inorganic caesium lead iodide perovskite solar cells

(2015) Giles E. Eperon et al.   Journal of Materials Chemistry A

Lead-free germanium iodide perovskite materials for photovoltaic applications

(2015) Thirumal Krishnamoorthy et al.   Journal of Materials Chemistry A

Unique Properties of Halide Perovskites as Possible Origins of the Superior Solar Cell Performance

(2014) Wan-Jian Yin et al.   ADVANCED MATERIALS

Chemical Management for Colorful, Efficient, and Stable Inorganic–Organic Hybrid Nanostructured Solar Cells

(2013) Jun Hong Noh et al.   NANO LETTERS

Commentary: The Materials Project: A materials genome approach to accelerating materials innovation

(2013) Anubhav Jain et al.   APL Materials

Impact of energy filtering and carrier localization on the thermoelectric properties of granular semiconductors

(2012) Dario Narducci et al.   JOURNAL OF SOLID STATE CHEMISTRY

Ab initio study of structural, electronic and optical properties of Be-doped CdS, CdSe and CdTe compounds

(2012) N.A. Noor et al.   PHYSICA B-CONDENSED MATTER

Merits and limits of the modified Becke-Johnson exchange potential

(2011) David Koller et al.   PHYSICAL REVIEW B