Tuning of band gap by anions (Cl, Br, I) of double perovskites Rb2AgAsX6 (Cl, Br, I) for solar cells and thermoelectric applications

First principles study of electronic, optical, and thermoelectric properties of K2Pd (Cl/Br)6 for solar cells and renewable energy

(2022) Q Mahmood et al.   PHYSICA SCRIPTA

High throughput screening of promising lead-free inorganic halide double perovskites via first-principles calculations

(2022) Zhengyang Gao et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

First principle study of optoelectronic and mechanical properties of lead-free double perovskites Cs2SeX6 (X = Cl, Br, I)

(2022) Tahani I. Al-Muhimeed et al.   Journal of Taibah University for Science

Exploring the structural, mechanical, electronic, and optical properties of double perovskites of Cs2AgInX6 (X = Cl, Br, I) by first-principles calculations

(2022) Radhakrishnan Anbarasan et al.   JOURNAL OF SOLID STATE CHEMISTRY

High-Throughput Screening of Rattling-Induced Ultralow Lattice Thermal Conductivity in Semiconductors

(2022) Jielan Li et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Study of narrow band gap double perovskites (Sr/Ba)2BB'O6 (B = In, Tl, B' = Sb, Bi) for optical, thermoelectric, and mechanical properties

(2022) Ghazanfar Nazir et al.   Materials Today Communications

Lead-free halide double perovskites: Toward stable and sustainable optoelectronic devices

(2021) Asia Bibi et al.   Materials Today

First-principles study of lead-free double perovskites Rb2TeX6 (X = Cl, Br, and I) for solar cells and renewable energy

(2021) Q. Mahmood et al.   Materials Science and Engineering B-Advanced Functional Solid-State Materials

Mixed‐Halide Double Perovskite Cs 2 AgBiX 6 (X=Br, I) with Tunable Optical Properties via Anion Exchange

(2021) Hua Wu et al.   ChemSusChem

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

(2021) Muskan Nabi et al.   Scientific Reports

Appealing perspectives of structural, electronic, mechanical, and thermoelectric properties of Tl2(Se, Te)Cl6 vacancy-ordered double perovskites

(2021) Malak Azmat Ali et al.   JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS

Theoretical investigation of Cs2InBiX6 (X = Cl, Br, I) double perovskite halides using first-principle calculations

(2021) Fatima Aslam et al.   Materials Science and Engineering B-Advanced Functional Solid-State Materials

Study of lead-free double perovskites halides Cs2TiCl6, and Cs2TiBr6 for optoelectronics, and thermoelectric applications

(2021) Q. Mahmood et al.   MATERIALS SCIENCE IN SEMICONDUCTOR PROCESSING

The hybrid halide perovskite: Synthesis strategies, fabrications, and modern applications

(2021) Aslam Hossain et al.   CERAMICS INTERNATIONAL

WIEN2k: An APW+lo program for calculating the properties of solids

(2020) Peter Blaha et al.   JOURNAL OF CHEMICAL PHYSICS

Chemical Trends in the Thermodynamic Stability and Band Gaps of 980 Halide Double Perovskites: A High-Throughput First-Principles Study

(2020) Tao Zhang et al.   ACS Applied Materials & Interfaces

Halide Perovskites: Thermal Transport and Prospects for Thermoelectricity

(2020) Md Azimul Haque et al.   Advanced Science

Halide Mixing and Phase Segregation in Cs2AgBiX6 (X = Cl, Br, and I) Double Perovskites from Cesium-133 Solid-State NMR and Optical Spectroscopy

(2020) Dominik J. Kubicki et al.   CHEMISTRY OF MATERIALS

Bandgap Engineering of Lead-Free Double Perovskite Cs2AgInCl6 Nanocrystals via Cu2+-Doping

(2020) Qiaohui Liao et al.   Journal of Physical Chemistry Letters

Hybrid organic–inorganic halide perovskites

(2020) Yuanyuan Zhou et al.   JOURNAL OF APPLIED PHYSICS

Opto-electronic and thermoelectric properties of MgIn2X4 (X = S, Se) spinels via ab-initio calculations

(2019) Q. Mahmood et al.   JOURNAL OF MOLECULAR GRAPHICS & MODELLING

The first-principle study of mechanical, optical and thermoelectric properties of SnZrO3 and SnHfO3 for renewable energy applications

(2019) Q. Mahmood et al.   SOLID STATE COMMUNICATIONS

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

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

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

Synthesis and Near-Infrared Emission of Yb-Doped Cs2AgInCl6 Double Perovskite Microcrystals and Nanocrystals

(2019) Yogesh Mahor et al.   Journal of Physical Chemistry C

Thermochemical Stability of Hybrid Halide Perovskites

(2019) Alessandro Senocrate et al.   ACS Energy Letters

Synthesis and luminescence of Mn-doped Cs2AgInCl6 double perovskites

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

GaN/AlGaN multiple quantum wells grown on transparent and conductive (-201)-oriented β-Ga2O3 substrate for UV vertical light emitting devices

(2018) I. A. Ajia et al.   APPLIED PHYSICS LETTERS

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

(2018) Abhoy Karmakar et al.   CHEMISTRY OF MATERIALS

Two-Dimensional Hybrid Halide Perovskites: Principles and Promises

(2018) Lingling Mao et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Phase Diagrams and Stability of Lead-Free Halide Double Perovskites Cs2BB′X6: B = Sb and Bi, B′ = Cu, Ag, and Au, and X = Cl, Br, and I

(2017) Marina R. Filip et al.   Journal of Physical Chemistry C

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

Toxicity of organometal halide perovskite solar cells

(2016) Aslihan Babayigit et al.   NATURE MATERIALS

First principles phonon calculations in materials science

(2015) Atsushi Togo et al.   SCRIPTA MATERIALIA

Homogeneous vertical ZnO nanorod arrays with high conductivity on an in situ Gd nanolayer

(2015) Tahani H. Flemban et al.   RSC Advances

Few-quintuple Bi2Te3 nanofilms as potential thermoelectric materials

(2015) Gang Zhou et al.   Scientific Reports

ShengBTE: A solver of the Boltzmann transport equation for phonons

(2014) Wu Li et al.   COMPUTER PHYSICS COMMUNICATIONS

Phonon thermal transport inBi2Te3from first principles

(2014) Olle Hellman et al.   PHYSICAL REVIEW B

Identification of the prime optical center inGaN:Eu3+

(2010) I. S. Roqan et al.   PHYSICAL REVIEW B

Accurate Band Gaps of Semiconductors and Insulators with a Semilocal Exchange-Correlation Potential

(2009) Fabien Tran et al.   PHYSICAL REVIEW LETTERS