Elham Tahmasebi

Theoretical assessment of the electro-optical features of the group III nitrides (B12N12, Al12N12 and Ga12N12) and group IV carbides (C24, Si12C12 and Ge12C12) nanoclusters encapsulated with alkali metals (Li, Na and K)

Elham Tahmasebi, Ehsan Shakerzadeh, Zeinab Biglari · Applied Surface Science · 2015 · 94 citations

Materials Science, Aluminium Nitride, Engineering +9

M@B40 (M = Li, Na, K) serving as a potential promising novel NLO nanomaterial

Ehsan Shakerzadeh, Zeinab Biglari, Elham Tahmasebi · Chemical Physics Letters · 2016 · 87 citations

Materials Science, Solid-state Ionic, Nanosheet +5

The influence of alkali metals (Li, Na and K) interaction with Be12O12 and Mg12O12 nanoclusters on their structural, electronic and nonlinear optical properties: A theoretical study

Ehsan Shakerzdeh, Elham Tahmasebi, Hamid Reza Shamlouei · Synthetic Metals · 2015 · 67 citations

Materials Science, Solid-state Ionic, Optical Materials +10

A quantum chemical study on the remarkable nonlinear optical and electronic characteristics of boron nitride nanoclusters by complexation via lithium atom

Ehsan Shakerzadeh, Elham Tahmasebi, Zeinab Biglari · Journal of Molecular Liquids · 2016 · 36 citations

Boron Nitride, Engineering, Nanocluster +15

A DFT study on the potential application of metal-encapsulated B12N12 nanocage for efficient removal of gemifloxacin in aqueous medium

Zahra Mashak Shabavi, Ehsan Shakerzadeh, Tarun Yadav et al. · Computational and Theoretical Chemistry · 2024 · 31 citations

Nanomedicine, Chemical Engineering, Engineering +7