Defective perovskites Cs2SeCl6 and Cs2TeCl6 as novel high temperature potential thermoelectric materials

Electronic structure, thermomechanical and phonon properties of inverse perovskite oxide (Na 3 OCl): An ab initio study

(2020) Shakeel Ahmad Khandy et al.   INTERNATIONAL JOURNAL OF ENERGY RESEARCH

Lattice constant prediction of A2XY6 cubic crystals (A = K, Cs, Rb, TI; X = tetravalent cation; Y = F, Cl, Br, I) using computational intelligence approach

(2020) Ibrahim Olanrewaju Alade et al.   JOURNAL OF APPLIED PHYSICS

Electronic and Thermoelectric Properties of V2O5, MgV2O5, and CaV2O5

(2020) Xiaofei Sheng et al.   Coatings

Ab initio study for the structural, electronic, magnetic, optical, and thermoelectric properties of K 2 OsX 6 (X = Cl, Br) compounds

(2020) Rehan Ullah et al.   INTERNATIONAL JOURNAL OF ENERGY RESEARCH

The significance of anti‐fluorite Cs 2 NbI 6 via its structural, electronic, magnetic, optical and thermoelectric properties

(2020) Rehan Ullah et al.   INTERNATIONAL JOURNAL OF ENERGY RESEARCH

Prediction of Lattice Constant of A2XY6 Cubic Crystals Using Gene Expression Programming

(2020) Menad Nait Amar et al.   JOURNAL OF PHYSICAL CHEMISTRY B

A comprehensive first-principles computational study on the physical properties of lutetium aluminum perovskite LuAlO3

(2020) Samah Al-Qaisi 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

Ultrahigh Thermoelectric Power Generation from Both Ion Diffusion by Temperature Fluctuation and Hole Accumulation by Temperature Gradient

(2020) Hanlin Cheng et al.   Advanced Energy Materials

Role of 5d orbital of Re in ferromagnetism and thermoelectric characteristics of Cs2ReCl/Br6 double-perovskites: a density functional theory study

(2020) Q. Mahmood et al.   European Physical Journal Plus

Ultralow Thermal Conductivity, Enhanced Mechanical Stability, and High Thermoelectric Performance in (GeTe)1–2x(SnSe)x(SnS)x

(2020) Paribesh Acharyya et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

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

Influence of the spin-orbit coupling effect on the electronic and thermoelectric properties of Cs2MI6 (M = Zr, Hf) variant perovskites

(2020) Rehan Ullah et al.   MATERIALS RESEARCH BULLETIN

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

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

Optimal band gap for improved thermoelectric performance of two-dimensional Dirac materials

(2019) Eddwi H. Hasdeo et al.   JOURNAL OF APPLIED PHYSICS

Mechanical behaviors, lattice thermal conductivity and vibrational properties of a new MAX phase Lu2SnC

(2019) M.A. Hadi et al.   JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS

Experimental study on the influence of Peltier effect on the output performance of thermoelectric generator and deviation of maximum power point

(2019) Jun Wang et al.   ENERGY CONVERSION AND MANAGEMENT

DFT-focused estimation of mechanical, thermoelectric and thermodynamic properties of ACdF3 (A=K, Rb, Cs) fluroperovskites

(2019) Jisha Annie Abraham   INTERNATIONAL JOURNAL OF MODERN PHYSICS B

Structural, electronic and optical properties of cubic perovskite RbYbF3 under pressure: a first principles study

(2019) Rehan Ullah et al.   Materials Research Express

Quaternary compounds Ag2XYSe4 (X  =  Ba, Sr; Y  =  Sn, Ge) as novel potential thermoelectric materials

(2019) A J Hong et al.   JOURNAL OF PHYSICS D-APPLIED PHYSICS

First-principles study of elastic, electronic, thermodynamic, and thermoelectric transport properties of TaCoSn

(2018) Enamul Haque et al.   Results in Physics

The first-principle study of mechanical, optoelectronic and thermoelectric properties of CsGeBr3 and CsSnBr3 perovskites

(2018) Q Mahmood et al.   Materials Research Express

A simplified empirical model for predicting the lattice parameters for the cubic perovskite-related inorganic A2BX6 halides

(2018) V. Sidey   JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS

Elastic properties of perovskite-type hydrides LiBeH 3 and NaBeH 3 for hydrogen storage

(2017) Bilal Rehmat et al.   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

Investigation of Interfacial Charge Transfer in Solution Processed Cs2SnI6 Thin Films

(2017) Gaurav Kapil et al.   Journal of Physical Chemistry C

Solution processing of air-stable molecular semiconducting iodosalts, Cs2SnI6−xBrx, for potential solar cell applications

(2017) Byunghong Lee et al.   Sustainable Energy & Fuels

Defect Tolerance to Intolerance in the Vacancy-Ordered Double Perovskite Semiconductors Cs2SnI6 and Cs2TeI6

(2016) Annalise E. Maughan et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Stabilizing Perovskite Structures by Tuning Tolerance Factor: Formation of Formamidinium and Cesium Lead Iodide Solid-State Alloys

(2015) Zhen Li et al.   CHEMISTRY OF MATERIALS

First-principles calculations of two cubic fluoropervskite compounds: RbFeF3 and RbNiF3

(2015) A.A. Mubarak et al.   JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS

Air-Stable Molecular Semiconducting Iodosalts for Solar Cell Applications: Cs2SnI6 as a Hole Conductor

(2014) Byunghong Lee et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Shift of indirect to direct bandgap in going from K to Cs in MCaF3 (M = K, Rb, Cs)

(2012) G. Murtaza et al.   SOLID STATE SCIENCES

Modeling of lattice constant and their relations with ionic radii and electronegativity of constituting ions of A2XY6 cubic crystals (A=K, Cs, Rb, Tl; X=tetravalent cation, Y=F, Cl, Br, I)

(2011) M.G. Brik et al.   JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS

A wide-band-gap p-type thermoelectric material based on quaternary chalcogenides of Cu2ZnSnQ4 (Q=S,Se)

(2009) Min-Ling Liu et al.   APPLIED PHYSICS LETTERS

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

(2009) Fabien Tran et al.   PHYSICAL REVIEW LETTERS