Investigation of electronic, optical and thermoelectric features of X2ScAgCl6 (X=K, Na) double perovskites for renewable energy applications

Theoretical investigation of physical properties of Sr 2 XNbO 6 (X = La, Lu) double perovskite oxides for optoelectronic and thermoelectric applications

(2022) Anam Hanif et al.   INTERNATIONAL JOURNAL OF ENERGY RESEARCH

Theoretical investigation of X2NaIO6 (X= Pb,Sr) double perovskites for thermoelectric and optoelectronic applications

(2022) Asima Aziz et al.   PHYSICA B-CONDENSED MATTER

Ab‐initio study of opto‐electronic and thermoelectric properties of direct bandgap double perovskites Rb 2 XGaBr 6 (XNa, K)

(2021) Anwar Ul Haq et al.   INTERNATIONAL JOURNAL OF ENERGY RESEARCH

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

(2021) Asia Bibi et al.   Materials Today

Pressure induced electronic, optical and thermoelectric properties of cubic BaZrO3: a first principle calculations

(2021) Shanza Mubashir et al.   OPTIK

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

Electronic and optical properties of vacancy ordered double perovskites A2BX6 (A = Rb, Cs; B = Sn, Pd, Pt; and X = Cl, Br, I): a first principles study

(2021) Muhammad Faizan et al.   Scientific Reports

Quasiparticle Band Structure and Phonon-Induced Band Gap Renormalization of the Lead-Free Halide Double Perovskite Cs2InAgCl6

(2021) Viet-Anh Ha et al.   Journal of Physical Chemistry C

Analysis of Direct Band Gap A2ScInI6 (A=Rb, Cs) Double Perovskite Halides Using DFT Approach for Renewable Energy Devices

(2021) N.A. Noor et al.   Journal of Materials Research and Technology-JMR&T

Tailoring of band gap to tune the optical and thermoelectric properties of Sr1-xBaxSnO3 stannates for clean energy; probed by DFT

(2021) Umm-e-Hani et al.   CHEMICAL PHYSICS

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

New lead-free double perovskites (Rb2GeCl/Br)6; a promising materials for renewable energy applications

(2021) Abeer A. AlObaid et al.   MATERIALS CHEMISTRY AND PHYSICS

Halide double perovskite Cs2AgInBr6 for photovoltaic’s applications: Optical properties and stability

(2021) Adel Menedjhi et al.   OPTIK

Theoretical investigations of optoelectronic and transport properties of Rb2YInX6 (X = Cl, Br, I) double perovskite materials for solar cell applications

(2021) Pakeeza Aymen Nawaz et al.   SOLAR ENERGY

Machine learning stability and band gap of lead-free halide double perovskite materials for perovskite solar cells

(2021) Zongmei Guo et al.   SOLAR ENERGY

A first-principle study of the structural, mechanical, electronic and optical properties of vacancy-ordered double perovskite Cs2TeX6 (X = Cl, Br, I)

(2020) Rongjian Sa et al.   CHEMICAL PHYSICS LETTERS

Ab initio studies of the structural, elastic, electronic and optical properties of the Ni3In intermetallic compound

(2020) Ahmad A. Mousa et al.   MATERIALS CHEMISTRY AND PHYSICS

Probing of mechanical, optical and thermoelectric characteristics of double perovskites Cs2GeCl/Br6 by DFT method

(2020) Q. Mahmood et al.   MATERIALS SCIENCE IN SEMICONDUCTOR PROCESSING

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

Optoelectronic and thermoelectric properties of double perovskite Rb2PtX6 (X = Cl, Br) for energy harvesting: First-principles investigations

(2020) Q. Mahmood et al.   JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS

Physical properties of lead-free double perovskites A2SnI6 (A= Cs, Rb) using ab-initio calculations for solar cell applications

(2020) Muniba Huma et al.   MATERIALS SCIENCE IN SEMICONDUCTOR PROCESSING

A first-principle study of the stability and electronic properties of halide inorganic double perovskite Cs2PbX6 (X = Cl,I) for solar cell application

(2020) Ibrahim H. Al-Lehyani   Arabian Journal of Chemistry

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

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

Thermoelectric, Structural, Optoelectronic and Magnetic properties of double perovskite Sr2CrTaO6: First principle Study

(2019) S. Haid et al.   Materials Science and Engineering B-Advanced Functional Solid-State Materials

Magnetism and phase diagrams of the doubles perovskite Sr2 CrIrO6: Monte Carlo simulations

(2019) S. Idrissi et al.   PHYSICA A-STATISTICAL MECHANICS AND ITS APPLICATIONS

High-Quality Cs2 AgBiBr6 Double Perovskite Film for Lead-Free Inverted Planar Heterojunction Solar Cells with 2.2 % Efficiency

(2018) Weiyin Gao et al.   CHEMPHYSCHEM

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

Effect of Varying Pnictogen Elements (Pn=N, P, As, Sb, Bi) on the Optoelectronic Properties of SrZn2Pn2

(2018) G. Murtaza et al.   ZEITSCHRIFT FUR NATURFORSCHUNG SECTION A-A JOURNAL OF PHYSICAL SCIENCES

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

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

Cs2AgBiBr6 single-crystal X-ray detectors with a low detection limit

(2017) Weicheng Pan et al.   Nature Photonics

GGA + U and mBJ + U study of the optoelectronic, magnetic and thermoelectric properties of the SmAlO3 compound with spin–orbit coupling

(2016) Sandeep Chettri et al.   INTERNATIONAL JOURNAL OF MODERN PHYSICS B

Electronic band structure and optoelectronic properties of double perovskite Sr2MgMoO6 through modified Becke-Johnson potential

(2016) Abdelaziz Gassoumi et al.   MATERIALS SCIENCE IN SEMICONDUCTOR PROCESSING

Metal halide perovskites for energy applications

(2016) Wei Zhang et al.   Nature Energy

Theoretical studies of the paramagnetic perovskites MTaO3 (M = Ca, Sr and Ba)

(2015) Zahid Ali et al.   MATERIALS CHEMISTRY AND PHYSICS

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

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

Thermoelectric properties of SbNCa3 and BiNCa3 for thermoelectric devices and alternative energy applications

(2014) M. Bilal et al.   COMPUTER PHYSICS COMMUNICATIONS

Formamidinium lead trihalide: a broadly tunable perovskite for efficient planar heterojunction solar cells

(2014) Giles E. Eperon et al.   Energy & Environmental Science

Screened coulomb hybrid DFT investigation of band gap and optical absorption predictions of CuVO3, CuNbO3 and Cu5Ta11O30 materials

(2014) Moussab Harb et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Conditions of Electronic Structure to Obtain Large Dimensionless Figure of Merit for Developing Practical Thermoelectric Materials

(2009) Tsunehiro Takeuchi   MATERIALS TRANSACTIONS

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

(2009) Fabien Tran et al.   PHYSICAL REVIEW LETTERS

Assessing the Perdew-Burke-Ernzerhof exchange-correlation density functional revised for metallic bulk and surface systems

(2008) M. Ropo et al.   PHYSICAL REVIEW B