biblio
, “Exploring the structure and electronic properties of germanium doped boron clusters using density functional theory based global optimization method”, New Journal of Chemistry, vol. 46, no. 13, pp. 6244-6254, 2022.
, “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”, ACS Applied Nano Materials, vol. 5, no. 10, pp. 15409-15417, 2022.
, “Probing the site-specific reactivity and catalytic activity of Ag-n (n=15-20) silver clusters”, ACS Omega, vol. 7, no. 23, pp. 19687-19693, 2022.
, “Tantalum based single, double, and triple atom catalysts supported on g-C2N monolayer for effective nitrogen reduction reaction: a comparative DFT investigation”, Catalysis Science & Technology, vol. 12, no. 1, pp. 310-319, 2022.