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First principles study the effect of Zn doped MgO on the energy band gap using GGA approximation

A. M. Ghaleb ,R. A.Munef ,S. F. Mohammed

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Effect of reduced graphene oxide hybridization on ZnO nanoparticles sensitivity to NO2 gas: A DFT study

M. A. Abdulsattar ,M. T. Hussein ,M. U. Kahaly

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Electronic and optical properties of novel double perovskite compound Cs2RbInI6

Y. Soni ,R. Agrawal ,V. Yadav ,P. Singh ,S. Singh ,U. Rani ,A. S. Verma

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Study of structural, mechanical, thermal, and electronic structure properties of A2SnCl6 (A = Cs, Rb) perovskites for energy generation applications

O. Alsalmi ,M. Rashid

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Ab initio investigation of the structural, electronic, optical, and thermoelectric properties of absorber materials AuAlS₂ and AuInS₂ for enhanced solar panel efficiency

M. Laouamer ,Y. Megdoud ,S. Remha ,A. Mahmoudi ,M. Adaika ,Y. Benkrima ,R. Meneceur

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The theoretical study and prediction for chemical reactivity of carboxymethyl and succinic acid amylose grafted tanatril drug, a DFT study

M. M. Merza ,S.N.Mohsin

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Structure-Property-Performance Correlation of Sol-Gel Derived ZnO Thin Films for High-Efficiency Solar Cell Applications: A Combined Experimental and Computational Study

Pramod Mandal ,Anand Pandey ,Sudesna Roy

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First-Principles Calculations of Structural, Lattice Dynamical, and Thermodynamic Properties of
4H-SiC

You Yu ,Lijuan Tang ,Caihong Liu ,Shuhao Huang ,Yanhong Shen ,Yong Song ,Zhiqiang Du ,Ling Sun ,Tixian Zeng

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