Name Affiliation نامشخص Degree _ Website Email — JournalPaper Presentation FinishedProject Book Thesis Speech Innovation ResearchExcellence Sabbatical TheorizingChair GrantAttraction WorkShop Membership JournalPublication ExecutiveActivity TitleJournal 1 Boron-embedded C3N nanosheets as efficient electrocatalysts for reduction of nitric oxide International Journal of Hydrogen Energy 2 Electrochemical reduction of NO catalyzed by boron-doped C60 fullerene: a first-principles study RSC Advances 3 A mechanistic first-principles study on N2 reduction reaction catalyzed by Ni4 supported defective graphene JOURNAL OF MOLECULAR GRAPHICS & MODELLING 4 NO Electrochemical Reduction over Si-N4 Embedded Graphene: A DFT Investigation APPLIED SURFACE SCIENCE 5 Electrochemical Reduction of N2 to NH3 Using a Co Atom Stabilized on Defective N-doped Graphene: A Computational Study CHEMISTRYSELECT 6 Carbon-doped boron nitride nanosheet as a promising catalyst for N2O reduction by CO or SO2 molecule: A comparative DFT study APPLIED SURFACE SCIENCE 7 Metal-Free Reduction of NO over a Fullerene-like Boron Nitride Nanocluster: A Mechanistic Study by DFT Calculations CHEMISTRYSELECT 8 A catalyst-free achieving of N-doped carbon nanotubes: The healing of single-vacancy defects by NO molecule Chemical Physics Letters 9 A DFT study on the healing of N-vacancy defects in boron nitride nanosheets and nanotubes by a methylene molecule International Journal of Quantum Chemistry 10 Catalytic reduction of NO by CO molecule over Ni-doped graphene: A DFT investigation New Journal of Chemistry 11 A DFT study on catalytic epoxidation of ethylene over Ti-doped graphene nanoflake in the presence of NO molecules Chemical Physics Letters 12 Epoxidation of ethylene over Pt-, Pd- and Ni-doped graphene in the presence of N2O as an oxidant: A comparative DFT study New Journal of Chemistry 13 N2O + SO2 reaction over Si- and C-doped boron nitride nanotubes: A comparative DFT study APPLIED SURFACE SCIENCE 14 Healing of a carbon-vacancy defect in silicon carbide nanotubes by CO molecules: A DFT study Chemical Physics Letters 15 Chalcogen-chalcogen interactions in furan-YHX and thiophene-YHX complexes (X=F, Cl, Br; Y=S, Se): An ab initio study BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN 16 The healing of B- or N-vacancy defective BNNTs by using CO molecule: a DFT study New Journal of Chemistry 17 A DFT study on SO3 capture and activation over Si- or Al-doped graphene Chemical Physics Letters 18 DFT calculations on the catalytic oxidation of CO over Si-doped (6,0) boron nitride nanotubes Structural Chemistry 19 Si-doped graphene: A promising metal-free catalyst for oxidation of SO2 Chemical Physics Letters 20 Si-embedded boron-nitride nanotubes as an efficient and metal-free catalyst for NO oxidation Superlattices and Microstructures 21 Sn-embedded graphene: An active catalyst for CO oxidation to CO2? PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES