First principle study of optoelectronic and thermoelectric properties of magnesium based MgX2O4 (X = Sb, Bi) spinels

Role of Surfaces in the Magnetic and Ozone Gas-Sensing Properties of ZnFe2O4 Nanoparticles: Theoretical and Experimental Insights

(2021) Regiane Cristina de Oliveira et al.   ACS Applied Materials & Interfaces

Structural, elastic, thermodynamic, electronic, optical and thermoelectric properties of MgLu2X4 (X= S, Se) spinel compounds from ab-initio calculations

(2021) Samah Al-Qaisi et al.   MATERIALS SCIENCE IN SEMICONDUCTOR PROCESSING

Exploration of magnesium based MgX2O4 (X = Rh, Bi) spinels for thermoelectric applications using density functional theory (DFT)

(2020) Farzana Majid et al.   Journal of Materials Research and Technology-JMR&T

Analysis of optoelectronic and trasnport properties of magnesium based MgSc2X4 (X=S, Se) spinels for solar cell and energy storage device applications

(2020) W. Tahir et al.   CERAMICS INTERNATIONAL

Density Functional Theory Study of Electronic, Optical and Transport Properties of Magnesium Based MgY2Z4 (Z = S and Se) Spinels

(2020) Maiza Zanib et al.   CURRENT APPLIED PHYSICS

Theoretical investigations of optoelectronic and thermoelectric properties of the XIn2O4 (X = Mg, Zn, Cd) spinel oxides

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

Ab initio study of the structural, electronic, optical and elastic properties of promising optoelectronic and thermoelectric compounds MgSc2X4 (X = S; Se)

(2020) Khang D. Pham et al.   JOURNAL OF SOLID STATE CHEMISTRY

Study of optoelectronic and transport properties of MgLu2Z4 (Z=S, Se) spinels for optoelectronic and energy harvesting applications

(2020) Ghulam M. Mustafa et al.   MATERIALS SCIENCE IN SEMICONDUCTOR PROCESSING

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

Novel n-type thermoelectric material of ZnIn2Se4

(2019) Fang Yu et al.   JOURNAL OF ALLOYS AND COMPOUNDS

Systematic study of the elastic, optoelectronic, and thermoelectric behavior of MRh 2 O 4 (M = Zn, Cd) based on first principles calculations

(2018) Syed Adeel Abbas et al.   JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS

3D printing of shape-conformable thermoelectric materials using all-inorganic Bi2Te3-based inks

(2018) Fredrick Kim et al.   Nature Energy

Electronic, optical, elastic, thermoelectric and thermodynamic properties of the spinel oxides ZnRh2O4 and CdRh2O4

(2018) A. Bouhemadou et al.   JOURNAL OF ALLOYS AND COMPOUNDS

The study of electronic, elastic, magnetic and optical response of Zn 1-x Ti x Y (Y = S, Se) through mBJ potential

(2016) Q. Mahmood et al.   CURRENT APPLIED PHYSICS

Systematic study of room-temperature ferromagnetism and the optical response of Zn1−xTMxS/Se (TM  =  Mn, Fe, Co, Ni) ferromagnets: first-principle approach

(2016) Q Mahmood et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Thermodynamic Stability, Redox Properties, and Reactivity of Mn3O4, Fe3O4, and Co3O4 Model Catalysts for N2O Decomposition: Resolving the Origins of Steady Turnover

(2016) Jan Kaczmarczyk et al.   ACS Catalysis

Density Functional Theory applied to magnetic materials: Mn 3 O 4 at different hybrid functionals

(2015) R.A.P. Ribeiro et al.   JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS

Band gaps from the Tran-Blaha modified Becke-Johnson approach: A systematic investigation

(2013) Hong Jiang   JOURNAL OF CHEMICAL PHYSICS

Theoretical prediction of the structural, electronic and optical properties of SnB2O4 (B=Mg, Zn, Cd)

(2011) D. Allali et al.   COMPUTATIONAL MATERIALS SCIENCE

Electronic structure and band gap of zinc spinel oxides beyond LDA: ZnAl2O4, ZnGa2O4and ZnIn2O4

(2011) H Dixit et al.   NEW JOURNAL OF PHYSICS

Electronic structure calculations forZnFe2O4

(2011) S. Soliman et al.   PHYSICAL REVIEW B

Structural, electronic and optical properties of spinel oxides ZnAl2O4, ZnGa2O4 and ZnIn2O4

(2011) F. Zerarga et al.   SOLID STATE SCIENCES

Spinel-Layered Core-Shell Cathode Materials for Li-Ion Batteries

(2011) Yonghyun Cho et al.   Advanced Energy Materials

Rapid room-temperature synthesis of nanocrystalline spinels as oxygen reduction and evolution electrocatalysts

(2010) Fangyi Cheng et al.   Nature Chemistry

A Structural and Magnetic Investigation of the Inversion Degree in Ferrite Nanocrystals MFe2O4(M = Mn, Co, Ni)

(2009) D. Carta et al.   Journal of Physical Chemistry C

Workhorse Semilocal Density Functional for Condensed Matter Physics and Quantum Chemistry

(2009) John P. Perdew et al.   PHYSICAL REVIEW LETTERS

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

(2009) Fabien Tran et al.   PHYSICAL REVIEW LETTERS

Structural, electronic and optical properties of spinel MgAl2O4oxide

(2008) S. M. Hosseini   PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS

Enhancement of Thermoelectric Efficiency in PbTe by Distortion of the Electronic Density of States

(2008) J. P. Heremans et al.   SCIENCE