Ali Raza Ayub

Structural, optical and photovoltaic properties of unfused Non-Fullerene acceptors for efficient solution processable organic solar cell (Estimated PCE greater than 12.4%): A DFT approach

Umer Yaqoob, Ali Raza Ayub, Sidra Rafiq et al. · Journal of Molecular Liquids · 2021 · 110 citations

Natural Sciences, Materials Science, Physics +16

Therapeutic potential of graphyne as a new drug-delivery system for daunorubicin to treat cancer: A DFT study

Iqra Munir, Mehvish Perveen, Sidra Nazir et al. · Journal of Molecular Liquids · 2021 · 89 citations

Medicine, Oncology, Pharmacology +10

Enhanced linear and nonlinear optical response of superhalogen (Al7) doped graphitic carbon nitride (g-C3N4)

Rao Aqil Shehzad, Javed Iqbal, Khurshid Ayub et al. · Optik · 2020 · 74 citations

Natural Sciences, Materials Engineering, Materials Science +12

Theoretical and computational study on electronic effect caused by electron withdrawing/electron-donating groups upon the coumarin thiourea derivatives

Amtul Musawwir, Afifa Farhat, Rasheed Ahmad Khera et al. · Computational and Theoretical Chemistry · 2021 · 59 citations

Natural Sciences, Chemistry, Physics +17

A comprehensive comparison of zeolite-5A molecular sieves and amine-grafted SBA-15 silica for cyclic adsorption-desorption of carbon dioxide in enclosed environments

Sara Ahsan, Ali Raza Ayub, Daniel E. Meeroff et al. · Chemical Engineering Journal · 2022 · 55 citations

Natural Sciences, Chemical Engineering, Materials Science +15