First-principle investigations on optoelectronics and thermoelectric properties of lead-free Rb2InSbX6 (X = Cl, Br) double perovskites: for renewable energy applications

First principles insight on structural, opto-electronic and transport properties of novel zintl-phase AMg2Bi2 (A=Sr, Ba)

(2023) Debidatta Behera et al.   JOURNAL OF SOLID STATE CHEMISTRY

First principles insights on the structural, mechanical, dynamical, thermoelectric and thermodynamics properties of novel topological (ScSb) semi-metal

(2023) Mumtaz Manzoor et al.   Materials Science and Engineering B-Advanced Functional Solid-State Materials

First-principles calculations to investigate structural, optoelectronics and thermoelectric properties of lead free Cs2GeSnX6 (X = Cl, Br)

(2023) Debidatta Behera et al.   Materials Science and Engineering B-Advanced Functional Solid-State Materials

First-Principles Studies on the Physical Properties of the Half Heusler RbNbCd and RbNbZn Compounds: A Promising Material for Thermoelectric Applications

(2023) Debidatta Behera et al.   Crystals

Electronic Properties, Linear and Nonlinear Performance of KAgCh (Ch = S, Se) Compounds: A First-Principles Study

(2023) Taieb Seddik et al.   Crystals

A Comprehensive First-Principles Investigation of SnTiO3 Perovskite for Optoelectronic and Thermoelectric Applications

(2023) Debidatta Behera et al.   Crystals

Theoretical insight on the electronic band structure, mechanical, vibrational and thermodynamic characteristic of antiperovskites RE3InN (RE=Y and La)

(2023) Debidatta Behera et al.   Materials Today Communications

Tuning the optoelectronic and thermoelectric characteristics of narrow bandgap Rb2AlInX6(X= Cl, Br, I) double perovskites: A DFT study

(2022) Saba Iqbal et al.   MATERIALS SCIENCE IN SEMICONDUCTOR PROCESSING

Electronic, optical, and thermoelectric investigations of Zintl phase AAg2Se2 (A=Sr, Ba) compounds: A first-principle approach

(2022) Debidatta Behera et al.   JOURNAL OF SOLID STATE CHEMISTRY

Study of optical and thermoelectric properties of double perovskites Cs2KTlX6 (X = Cl, Br, I) for solar cell and energy harvesting

(2022) Hind Albalawi et al.   Materials Today Communications

Theoretical Understanding of thermoelectric energy conversion efficiency in Lead-Free halide double perovskites showing intrinsic defect tolerance

(2022) Lifu Yan et al.   APPLIED THERMAL ENGINEERING

A comprehensive DFT analysis on structural, electronic, optical, thermoelectric, SLME properties of new Double Perovskite Oxide Pb2ScBiO6

(2022) Jisha Annie Abraham et al.   CHEMICAL PHYSICS LETTERS

Revealing excellent electronic, optical, and thermoelectric behavior of Eu based EuAg2Y2 (Y= S/Se): For solar cell applications

(2022) Debidatta Behera et al.   Computational Condensed Matter

Investigation of the structural, mechanical, optoelectronic and, thermoelectric characteristics of cubic GeTiO3: An ab initio study

(2022) Mumtaz Manzoor et al.   Materials Today Communications

Electronic, optical, and thermoelectric properties of perovskite BaTiO3 compound under the effect of compressive strain

(2021) S. Dahbi et al.   CHEMICAL PHYSICS

Lead Free Double Perovsites Halides X2AgTlCl6 (X = Rb, Cs) for solar cells and renewable energy applications

(2021) G. Murtaza et al.   JOURNAL OF SOLID STATE CHEMISTRY

Recent Advancements in Crystalline Pb-Free Halide Double Perovskites

(2020) Muhammad Usman et al.   Crystals

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

First-principles investigation of structural, elastic, thermodynamic, electronic and optical properties of lead-free double perovskites halides: Cs2LiYX6 (X = Br, I)

(2020) Samah Al-Qaisi et al.   MATERIALS CHEMISTRY AND PHYSICS

Correction to: Abrupt initiation of material removal by focusing continuous-wave fiber laser on glass

(2020) Reina Yoshizaki et al.   Applied Physics A

Revealing the structural, electronic and optical properties of lead-free perovskite derivatives of Rb2SnX6(X = Cl, Br and I): A theory calculation

(2019) Yong Tang et al.   SOLAR ENERGY

High Power Factor vs. High zT—A Review of Thermoelectric Materials for High-Temperature Application

(2019) Mario Wolf et al.   Entropy

First principle study of structural, electronic, optical, and transport properties of ternary compounds NaGaX2 (X = S, Se, and Te) in tetragonal chalcopyrite phase

(2019) Muhammad Shahzad Yaseen et al.   OPTICAL AND QUANTUM ELECTRONICS

Exploring thermoelectric materials for renewable energy applications: The case of highly mismatched alloys based on AlBi 1-x Sb x and InBi 1-x Sb x

(2018) Bakhtiar Ul Haq et al.   INTERMETALLICS

IRelast package

(2018) M. Jamal et al.   JOURNAL OF ALLOYS AND COMPOUNDS

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

Thermodynamic Stability and Defect Chemistry of Bismuth-Based Lead-Free Double Perovskites

(2016) Zewen Xiao et al.   ChemSusChem

Key issues in development of thermoelectric power generators: High figure-of-merit materials and their highly conducting interfaces with metallic interconnects

(2016) Dinesh K. Aswal et al.   ENERGY CONVERSION AND MANAGEMENT

Elastic anisotropy of crystals

(2016) Christopher M. Kube   AIP Advances

Relationship between thermoelectric figure of merit and energy conversion efficiency

(2015) Hee Seok Kim et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Necessary and sufficient elastic stability conditions in various crystal systems

(2014) Félix Mouhat et al.   PHYSICAL REVIEW B

A review on thermoelectric renewable energy: Principle parameters that affect their performance

(2013) Mohamed Hamid Elsheikh et al.   RENEWABLE & SUSTAINABLE ENERGY REVIEWS

Improving the modified Becke-Johnson exchange potential

(2012) David Koller et al.   PHYSICAL REVIEW B

Cauchy pressure and the generalized bonding model for nonmagnetic bcc transition metals

(2012) Mark E. Eberhart et al.   PHYSICAL REVIEW B

Thermoelectric Phenomena, Materials, and Applications

(2011) Terry M. Tritt   Annual Review of Materials Research

Ab-initiosimulations of materials using VASP: Density-functional theory and beyond

(2008) Jürgen Hafner   JOURNAL OF COMPUTATIONAL CHEMISTRY