سامانه مدیریت امور پژوهشی دانشگاه مراغه | نصیبه سعیدی

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	عنوان	مجله
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	بررسی نظری احیای گاز NO بر روی نانوقفسهای B12N12 و B11N12C	شيمي و مهندسي شيمي ايران
6	Electrochemical Reduction of N2 to NH3 Using a Co Atom Stabilized on Defective N-doped Graphene: A Computational Study	CHEMISTRYSELECT
7	Carbon-doped boron nitride nanosheet as a promising catalyst for N2O reduction by CO or SO2 molecule: A comparative DFT study	APPLIED SURFACE SCIENCE
8	Metal-Free Reduction of NO over a Fullerene-like Boron Nitride Nanocluster: A Mechanistic Study by DFT Calculations	CHEMISTRYSELECT
9	A catalyst-free achieving of N-doped carbon nanotubes: The healing of single-vacancy defects by NO molecule	Chemical Physics Letters
10	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
11	Catalytic reduction of NO by CO molecule over Ni-doped graphene: A DFT investigation	New Journal of Chemistry
12	A DFT study on catalytic epoxidation of ethylene over Ti-doped graphene nanoflake in the presence of NO molecules	Chemical Physics Letters
13	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
14	N2O + SO2 reaction over Si- and C-doped boron nitride nanotubes: A comparative DFT study	APPLIED SURFACE SCIENCE
15	Healing of a carbon-vacancy defect in silicon carbide nanotubes by CO molecules: A DFT study	Chemical Physics Letters
16	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
17	The healing of B- or N-vacancy defective BNNTs by using CO molecule: a DFT study	New Journal of Chemistry
18	A DFT study on SO3 capture and activation over Si- or Al-doped graphene	Chemical Physics Letters
19	DFT calculations on the catalytic oxidation of CO over Si-doped (6,0) boron nitride nanotubes	Structural Chemistry
20	Si-doped graphene: A promising metal-free catalyst for oxidation of SO2	Chemical Physics Letters
21	Si-embedded boron-nitride nanotubes as an efficient and metal-free catalyst for NO oxidation	Superlattices and Microstructures
22	Sn-embedded graphene: An active catalyst for CO oxidation to CO2?	PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES