Abdulrahman Allangawi

发表

Anchoring the late first row transition metals with B12P12 nanocage to act as single atom catalysts toward oxygen evolution reaction (OER)

M. A. Gilani, K. Ayub, T. Mahmood, 2023, Materials Science in Semiconductor Processing.

High drug carrying efficiency of boron-doped Triazine based COF toward anti-cancer tegafur; a theoretical perspective

K. Ayub, T. Mahmood, Hasnain Sajid, 2022, Computational and Theoretical Chemistry.

Chemical sensing ability of aminated graphdiyne (GDY-NH2) toward highly toxic organic volatile pollutants

K. Ayub, T. Mahmood, Mazhar Amjad Gilani, 2023, Computational and Theoretical Chemistry.

Carbon Capture Materials in Post-Combustion: Adsorption and Absorption-Based Processes

A. A. El-Fattah, A. H. Kamel, H. A. Mohammed, 2023, C.

First row transition metal doped B12P12 and Al12P12 nanocages as excellent single atom catalysts for the hydrogen evolution reaction

M. A. Gilani, K. Ayub, T. Mahmood, 2023, International Journal of Hydrogen Energy.

Investigation of the cyclo[12]carbon nanoring and respective analogues (Al6N6 and B6N6) as support for the single atom catalysis of the hydrogen evolution reaction

K. Ayub, T. Mahmood, Abdulrahman Allangawi, 2023, Materials Science in Semiconductor Processing.

Removal of methylene blue by using sodium alginate-based hydrogel; validation of experimental findings via DFT calculations.

A. A. El-Fattah, K. Ayub, T. Mahmood, 2023, Journal of molecular graphics & modelling.

Therapeutic efficiency of B3O3 quantum dot as a targeted drug delivery system toward Foscarnet anti-HIV drug

K. Ayub, T. Mahmood, Hasnain Sajid, 2023, Computational and Theoretical Chemistry.

Transition metal loaded carbon penta-belt SACs for hydrogen and oxygen evolution reactions and identification of systematic DFT method to characterize the main interacting orbital for non-periodic system

M. A. Gilani, K. Ayub, T. Mahmood, 2023, International Journal of Hydrogen Energy.

Transition metal-modified 1-Azahomocubane dimers: Designed catalysts for enhanced hydrogen and oxygen evolution reactions via first-principles calculations

M. A. Gilani, K. Ayub, T. Mahmood, 2024, International Journal of Hydrogen Energy.

Highly active late second-row transition metals loaded B12P12 nanocages as bifunctional single atom catalysts toward hydrogen and oxygen evolution reactions

M. A. Gilani, K. Ayub, T. Mahmood, 2024, International Journal of Hydrogen Energy.

Decorating Mg12O12 Nanocage with Late First-Row Transition Metals To Act as Single-Atom Catalysts for the Hydrogen Evolution Reaction

M. A. Gilani, K. Ayub, Naveen Kosar, 2023, ACS omega.