Asif Nawaz Khan

7PUBLICATIONS
8CO-AUTHORS
Theoretical quantum chemistryPhotonics, optoelectronics and optical communicationsCompound semiconductorsNuclear engineering (incl. fuel enrichment and waste processing and storage)
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Publications (7)

|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

|Mar 09, 2026
Stability and hydrogen storage potential of zirconium-based A2ZrH6 (A = Na, K) hydrides: a DFT and AIMD investigation.

Muhammad Kaleem, Amna Nasir, Zahid Sarfraz

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Frequent Collaborators

6 joint publications

Muhammad Kaleem

5 joint publications

Malik Muhammad Asif Iqbal

3 joint publications

Muhammad Abaidullah

1 joint publications

Selma Rabhi