Asif Nawaz Khan

8PUBLICATIONS
8CO-AUTHORS
Nuclear engineering (incl. fuel enrichment and waste processing and storage)Theoretical quantum chemistryPhotonics, optoelectronics and optical communicationsCompound semiconductors
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Publications (8)

|Aug 25, 2026
DFT and AIMD insights into the stability and hydrogen storage performance of Na2XH6 (X = Cr, Mn, and Fe) perovskite hydrides.

|Aug 01, 2026
AIMD-driven insights into the thermodynamic stability and thermoelectric performance of Li2YCuX6 (X = Cl, Br, I) double perovskites.

|Jun 26, 2026
K2LiXH6 (X = Zr, Mn) double perovskite hydrides for hydrogen storage: a DFT and AIMD investigation.

|Jun 16, 2026
DFT and SCAPS-1D investigation of Ae2LiSbI6 (Ae = Rb, Cs) perovskites for solar energy applications.

|May 22, 2026
Computational exploration of hydrogen storage potential in Mg2LiXH6 (X = Ti, V) hydrides via DFT and AIMD simulations.

|Mar 11, 2026
Bridging first-principles calculations and device simulations of A3GaI6 (A = K, Rb, Cs) double perovskites for next-generation solar cells: DFT, AIMD, and SCAPS-1D.

Muhammad Awais Jehangir, Selma Rabhi, Rachid Makhloufi

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Frequent Collaborators

7 joint publications

Muhammad Kaleem

5 joint publications

Malik Muhammad Asif Iqbal

3 joint publications

Muhammad Abaidullah

1 joint publications

Selma Rabhi