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

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

One-step solution synthesis and stability study of inorganic perovskite semiconductor Cs2SnI6

(2020) Xiao Nairui et al.   SOLAR ENERGY

Probing the electronic structure and magnetism in Ni doped ZnTe: A DFT modeling and experiment

(2020) Q. Mahmood et al.   JOURNAL OF ALLOYS AND COMPOUNDS

Progress of Lead‐Free Halide Double Perovskites

(2019) Femi Igbari et al.   Advanced Energy Materials

Inorganic and Layered Perovskites for Optoelectronic Devices

(2019) Azhar Fakharuddin et al.   ADVANCED MATERIALS

Tolerance Factor and Cooperative Tilting Effects in Vacancy-Ordered Double Perovskite Halides

(2018) Annalise E. Maughan et al.   CHEMISTRY OF MATERIALS

Physical properties of cubic BaGeO 3 perovskite at various pressure using first-principle calculations for energy renewable devices

(2018) N.A. Noor et al.   JOURNAL OF MOLECULAR GRAPHICS & MODELLING

Ab-initio study of thermodynamic stability, thermoelectric and optical properties of perovskites ATiO 3 (A=Pb, Sn)

(2018) N.A. Noor et al.   JOURNAL OF SOLID STATE CHEMISTRY

A first-principle study of the electronic, mechanical and optical properties of inorganic perovskite Cs 2 SnI 6 for intermediate-band solar cells

(2018) Murugesan Rasukkannu et al.   MATERIALS LETTERS

Systematic study of elastic, electronic, optical and thermoelectric properties of cubic BiBO 3 and BiAlO 3 compounds at different pressure by using ab-initio calculations

(2018) N.A. Noor et al.   MATERIALS RESEARCH BULLETIN

Exploring novel phase of tin sulfide for photon/energy harvesting materials

(2018) Sajid Ur Rehman et al.   SOLAR ENERGY

Ambient-air-stable inorganic Cs2SnI6 double perovskite thin films via aerosol-assisted chemical vapour deposition

(2018) Jack Chun-Ren Ke et al.   Journal of Materials Chemistry A

Computational screening of high-performance optoelectronic materials using OptB88vdW and TB-mBJ formalisms

(2018) Kamal Choudhary et al.   Scientific Data

Investigations of half-metallic ferromagnetism and thermoelectric properties of cubic XCrO3 (X = Ca,Sr,Ba) compounds via first-principles approaches

(2018) N.A. Noor et al.   PHYSICS LETTERS A

The under-pressure behaviour of mechanical, electronic and optical properties of calcium titanate and its ground state thermoelectric response

(2017) N. A. Noor et al.   PHILOSOPHICAL MAGAZINE

Progress, challenges and perspectives in flexible perovskite solar cells

(2016) Francesco Di Giacomo et al.   Energy & Environmental Science

First-principles evaluation of Co-doped ZnS and ZnSe ferromagnetic semiconductors

(2016) Q. Mahmood et al.   JOURNAL OF ALLOYS AND COMPOUNDS

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

Shift of indirect to direct bandgap and thermoelectric response of the cubic BiScO3 via DFT-mBJ studies

(2016) N.A. Noor et al.   MATERIALS SCIENCE IN SEMICONDUCTOR PROCESSING

Lead-free mesoscopic Cs2SnI6perovskite solar cells using different nanostructured ZnO nanorods as electron transport layers

(2016) Xiaofeng Qiu et al.   Physica Status Solidi-Rapid Research Letters

Optoelectronic structure and related transport properties of BiCuSeO-based oxychalcogenides: First principle calculations

(2016) Wilayat Khan et al.   SOLID STATE SCIENCES

Development of a Debye heat capacity model for vibrational modes with a gap in the density of states

(2015) Jacob M Schliesser et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

The expanding world of hybrid perovskites: materials properties and emerging applications

(2015) Sarah Brittman et al.   MRS Communications

Interface energetics in organo-metal halide perovskite-based photovoltaic cells

(2014) Philip Schulz et al.   Energy & Environmental Science

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

The emergence of perovskite solar cells

(2014) Martin A. Green et al.   Nature Photonics

Calculating NMR chemical shifts using the augmented plane-wave method

(2014) Robert Laskowski et al.   PHYSICAL REVIEW B

Mechanical properties of hybrid organic-inorganic CH3NH3BX3 (B = Sn, Pb; X = Br, I) perovskites for solar cell absorbers

(2014) Jing Feng   APL Materials

Efficient planar heterojunction perovskite solar cells by vapour deposition

(2013) Mingzhen Liu et al.   NATURE

Efficient Hybrid Solar Cells Based on Meso-Superstructured Organometal Halide Perovskites

(2012) M. M. Lee et al.   SCIENCE

Lead Iodide Perovskite Sensitized All-Solid-State Submicron Thin Film Mesoscopic Solar Cell with Efficiency Exceeding 9%

(2012) Hui-Seon Kim et al.   Scientific Reports

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

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