Name Affiliation نامشخص Degree _ Website Email — JournalPaper Presentation FinishedProject Book Thesis Speech Innovation ResearchExcellence Sabbatical TheorizingChair GrantAttraction WorkShop Membership JournalPublication ExecutiveActivity TitleJournal 1 The role of healed N-vacancy defective BC2N sheet and nanotube by NO molecule in oxidation of NO and CO gas molecules SURFACE SCIENCE 2 A DFT study on electronic and optical properties of aspirin-functionalized B12N12 fullerene-like nanocluster Structural Chemistry 3 Potential of Si-doped boron nitride nanotubes as a highly active and metal-free electrocatalyst for oxygen reduction reaction: A DFT study SYNTHETIC METALS 4 Halide ion-driven self-assembly of Zn(II) compounds derived from an asymmetrical hydrazone building block: a combined experimental and theoretical study New Journal of Chemistry 5 Catalytic dehydrogenation of hydrazine borane on pristine and Al-embedded boron nitride nanotubes International Journal of Hydrogen Energy 6 The healing of B- or N-vacancy defective BNNTs by using CO molecule: a DFT study New Journal of Chemistry 7 A comparative theoretical study of CO oxidation reaction by O2 molecule over Al- or Si-decorated graphene oxide JOURNAL OF MOLECULAR GRAPHICS & MODELLING 8 Oxidation of CO by N2O over Al- and Ti-doped graphene: a comparative study RSC Advances 9 A DFT study on SO3 capture and activation over Si- or Al-doped graphene Chemical Physics Letters 10 A DFT study on the N2O reduction by CO molecule over silicon carbide nanotubes and nanosheets RSC Advances 11 Al- or Si-decorated graphene oxide: A favorable metal-free catalyst for the N2O reduction APPLIED SURFACE SCIENCE 12 Ambient carbon dioxide capture by different dimensional AlN nanostructures: A comparative DFT study Superlattices and Microstructures 13 A density functional theory study on adsorption and decomposition of acetic acid over silicon carbide nanotubes SYNTHETIC METALS 14 A comparative DFT study on the CO oxidation reaction over Al- and Ge-embedded graphene as efficient metal-free catalysts APPLIED SURFACE SCIENCE 15 Catalytic activity of silicon carbide nanotubes and nanosheets for oxidation of CO: a DFT study New Journal of Chemistry 16 Si-doped graphene: A promising metal-free catalyst for oxidation of SO2 Chemical Physics Letters 17 Pd-embedded graphene: An efficient and highly active catalyst for oxidation of CO Superlattices and Microstructures 18 A comparative study of the CO oxidation reaction over pristine and C-doped boron nitride fullerene RSC Advances 19 Theoretical study of formamide decomposition pathways over (6,0) silicon-carbide nanotube JOURNAL OF MOLECULAR MODELING 20 A computational investigation of oxygen reduction reaction mechanisms on Si- and Aldoped graphene: A comparative study Advanced Materials Letters