Afshana Hassan

Tantalum based single, double, and triple atom catalysts supported on g-C₂N monolayer for effective nitrogen reduction reaction: a comparative DFT investigation

Anjumun Rasool, Insha Anis, Mudit Dixit et al. · Catalysis Science & Technology · 2021 · 33 citations

Comparative Dft Investigation, Engineering, Computational Chemistry +17

First-Principles Investigation of the Electrocatalytic Reduction of CO₂ on Zirconium-Based Single-, Double-, and Triple-Atom Catalysts Anchored on a Graphitic Carbon Nitride Monolayer

Afshana Hassan, Insha Anis, Sadaf Shafi et al. · ACS Applied Nano Materials · 2022 · 28 citations

Carbon Dioxide, Engineering, Electrocatalytic Reduction +16

Boosting CO₂ Activation and Reduction by Engineering the Electronic Structure of Graphitic Carbon Nitride through Transition Metal-Free Single-Atom Functionalization

Syed Fozia, Afshana Hassan, Showkat Ahmad Reshi et al. · The Journal of Physical Chemistry C · 2023 · 26 citations

Co2 Activation, Engineering, Computational Chemistry +16

Nickel single atom catalyst supported on the gallium nitride monolayer: first principles investigations on the decisive role of support in the electrocatalytic reduction of CO₂

Romana Khanam, Afshana Hassan, Zeeshan Nazir et al. · Sustainable Energy & Fuels · 2023 · 25 citations

Materials Science, Oxygen Reduction Reaction, Chemical Engineering +13

Understanding the activity of single atom catalysts for CO₂ reduction to C₂ products: A high throughput computational screening

Afshana Hassan, Manzoor Ahmad Dar · New Journal of Chemistry · 2023 · 22 citations

Different Sacs, Chemical Engineering, Catalytic Application +14