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Muhammad Isa Khan

10PUBLICATIONS
1CO-AUTHORS
Theoretical quantum chemistryMain group metal chemistryElectrical energy generation (incl. renewables, excl. photovoltaics)Nuclear engineering (incl. fuel enrichment and waste processing and storage)Elemental semiconductors
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Journal

Publications (10)

Sort by Publication Date:
|Nov 19, 2025
Exploring the adsorption of Gemcitabine on silicon nanotubes using density functional theory.

Saleh S Alarfaji, Ume Kalsoom, Rabia Gilani

|Apr 14, 2025
A DFT study for hydrogen storage application on pristine magnesium dicarbide (MgC<sub>2</sub>) monolayer.

Irfan Ahmed, Ukkasha Iqrar, Ashir Saeed

|Mar 13, 2025
A DFT study of monolayer magnesium carbide (MgC<sub>2</sub>) as a potential anode for (Li, Na, K) alkali metal-ion batteries.

Muhammad Akbar, Noor Ul Ain, Muhammad Isa Khan

|Oct 31, 2024
Computational study of novel 2H chromium ditelluride as an anode material for Li/K-ion batteries.

Muhammad Isa Khan, Iqra Mehmood, Saleh S Alarfaji

|Oct 18, 2024
Bismuthene as a novel anode material of magnesium/zinc ion batteries with high capacity and stability: a DFT calculation.

Muhammad Isa Khan, Mahnaz Khurshid, Saleh S Alarfaji

|Aug 26, 2024
Pristine and aurum-decorated tungsten ditellurides as sensing materials for VOCs detection in exhaled human breath: DFT analysis.

Rabia Gilani, Saleh S Alarfaji, Kashif Nadeem

Pageof 2

Frequent Collaborators

1 joint publications

Naveed Ashraf

Frequent Collaborators

1 joint publications

Naveed Ashraf

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