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Works citing this work

Probing the physical properties of Sr3AsX3 (X = F and Br) perovskite compounds for prospective solar cell applications employing the DFT framework

<scp>LAX</scp> phases: A family of novel stable layered materials, informatics‐based discovery

Electronic structure, structural and optical properties of thermally evaporated CdTe thin films

Ethanol and Water Adsorption on Close-Packed 3d, 4d, and 5d Transition-Metal Surfaces: A Density Functional Theory Investigation with van der Waals Correction

First-principles investigation of the electronics, optical, mechanical, thermodynamics and thermoelectric properties of Na based Quaternary Heusler alloys (QHAs) NaHfXGe (X = Co, Rh, Ir)

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Ab Initio Study Of Double Oxides ZnX <sub>2</sub> O <sub>4</sub> (X=Al, Ga, In) Having Spinel Structure

A multi-scale approach for performance assessment of hydrogenated graphene Field-Effect Transistors

Density Functional Investigation of the Adsorption of Ethanol–Water Mixture on the Pt(111) Surface

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Dynamics and stability of icosahedral Fe–Pt nanoparticles

Embedded atom model for the liquid U–10Zr alloy based on density functional theory calculations

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First-principles study of the effect of dopants (Pd, Ni) on the formation and desorption of T<sub>2</sub>O from a Li<sub>2</sub>TiO<sub>3</sub> (001) surface

Methods of estimations of the band gap for kesterite Cu2ZnSnS(Se)4

A thin and high-strength composite polymer solid-state electrolyte with a highly efficient and uniform ion-transport network

Synergistic vacancy defects and mechanical strain for the modulation of the mechanical, electronic and optical properties of monolayer tungsten disulfide

Role of electronic excitation, relaxation and transport processes for X-ray induced ultrafast demagnetization within magnetic multilayer systems

Two-Dimensional High-Entropy Selenides for Boosting Visible-Light-Driven Photocatalytic Performance

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