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	عنوان	مجله
1	Boron-embedded C3N nanosheets as efficient electrocatalysts for reduction of nitric oxide	International Journal of Hydrogen Energy 48 (2023) 19509-19521
2	Electrochemical reduction of NO catalyzed by boron-doped C60 fullerene: a ﬁrst-principles study	RSC Advances 12 (2022) 3003-3012
3	A mechanistic first-principles study on N2 reduction reaction catalyzed by Ni4 supported defective graphene	JOURNAL OF MOLECULAR GRAPHICS & MODELLING 105 (2021) 10789-10790
4	NO Electrochemical Reduction over Si-N4 Embedded Graphene: A DFT Investigation	APPLIED SURFACE SCIENCE 544 (2021) 14886-14887
5	Electrochemical Reduction of N2 to NH3 Using a Co Atom Stabilized on Defective N-doped Graphene: A Computational Study	CHEMISTRYSELECT 4 (2019) 12216-12226
6	بررسی نظری احیای گاز NO بر روی نانوقفسهای B12N12 و B11N12C	شیمی و مهندسی شیمی ایران 37 (1397) 109-118
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 444 (2018) 584-589
8	Metal-Free Reduction of NO over a Fullerene-like Boron Nitride Nanocluster: A Mechanistic Study by DFT Calculations	CHEMISTRYSELECT 3 (2018) 1168-1175
9	A catalyst-free achieving of N-doped carbon nanotubes: The healing of single-vacancy defects by NO molecule	Chemical Physics Letters 691 (2018) 172-177
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 117 (2017) 2545-2545
11	Catalytic reduction of NO by CO molecule over Ni-doped graphene: A DFT investigation	New Journal of Chemistry 41 (2017) 3149-3155
12	A DFT study on catalytic epoxidation of ethylene over Ti-doped graphene nanoflake in the presence of NO molecules	Chemical Physics Letters 687 (2017) -
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 41 (2017) -
14	N2O + SO2 reaction over Si- and C-doped boron nitride nanotubes: A comparative DFT study	APPLIED SURFACE SCIENCE 403 (2017) -
15	Healing of a carbon-vacancy defect in silicon carbide nanotubes by CO molecules: A DFT study	Chemical Physics Letters 671 (2017) -
16	The healing of B- or N-vacancy defective BNNTs by using CO molecule: a DFT study	New Journal of Chemistry 40 (2016) -
17	A DFT study on SO3 capture and activation over Si- or Al-doped graphene	Chemical Physics Letters 658 (2016) -
18	DFT calculations on the catalytic oxidation of CO over Si-doped (6,0) boron nitride nanotubes	Structural Chemistry 27 (2016) -
19	Si-doped graphene: A promising metal-free catalyst for oxidation of SO2	Chemical Physics Letters 649 (2016) -
20	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 88 (2015) -
21	Sn-embedded graphene: An active catalyst for CO oxidation to CO2?	PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES 74 (2015) -
22	Si-embedded boron-nitride nanotubes as an efficient and metal-free catalyst for NO oxidation	Superlattices and Microstructures 81 (2015) -

نصیبه سعیدی