نام و نام خانوادگی رضوان رحیمی شغل دانشجو دانشگاه اراک تحصیلات شیمی فیزیک وبسایت پست الکترونیک — مقاله چاپشده مقاله ارائهشده کتاب پایان نامه های تقاضا محور و غیر تقاضا محور طرح پژوهشی خاتمهیافته افتخارات و جوایز استانی، کشوری و بینالمللی ابداع عنوانمجله 1 Increasing the cell voltage of a magnesium ion battery with B24O24 anode through encapsulating halides: a DFT study Molecular Physics 2 A novel pentagonal BCN monolayer for sensing and drug delivery of nitrosourea and hydroxyurea anticancer drugs: A DFT outlook Materials Science in Semiconductor Processing 3 A study combining DFT and molecular dynamics simulations into the performance of B6N6 nanosheets for CO2 capture and separatio Applied Physics A 4 Covalent triazine-based monolayer with dual application in sensing and delivery of mercaptopurine anticancer drug: a periodic DFT study Molecular Physics 5 H i g h l y e f f i c i e n t H2S capture using pentagonal B2C monolayer: A periodic DFT study International Journal of Quantum Chemistry 6 Sensing response of pentagonal B2C nanosheet towards VOCs: A study combining DFT and molecular dynamics simulations Chemical Physics 7 In silico study of B3O3 nanosheet as a disposable platform for sensing and delivery of carmustine anticancer drug Journal of Drug Delivery Science and Technology 8 A periodic DFT study on superior adsorption of an azo dye over B3O3 monolayer Colloid & Nanoscience Journal 9 پHigh sensitivity of 2D covalent triazine framework for recognition of NO, NO2, and HO2 radicals: A periodic DFT study Chemical Physics Letters 10 Two-dimensional covalent triazine frameworks as a superior nanocarrier for drug delivery of thioguanine anti-cancer drugs: A periodic DFT study NEW JOURNAL OF CHEMISTRY 11 Empowering hydrogen storage performance of B4C3 monolayer through decoration with lithium: A DFT study SURFACES AND INTERFACES 12 Potential application of XC3 (X = B, N) nanosheets in drug delivery of hydroxyurea anticancer drug: a comparative DFT study MOLECULAR PHYSICS 13 B3O3 monolayer with dual application in sensing of COVID-19 biomarkers and drug delivery for treatment purposes: A periodic DFT study Journal of Molecular Liquids 14 First‑principles studies on two‑dimensional B3O3 adsorbent as a potential drug delivery platform for TEPA anticancer drug Journal of Molecular Modeling 15 B3O3 monolayer: an emerging 2D material for CO2 capture NEW JOURNAL OF CHEMISTRY 16 Sensing ability of 2D Al2C monolayer toward toxic pnictogen hydrides: A first-principles perspective Sensors and Actuators A: Physical 17 Gas-sensing performance of BC3 nanotubes for detecting poisonous cyanogen gas: a periodic DFT approach NEW JOURNAL OF CHEMISTRY 18 High-Performance Hydrogen Storage Properties of Li-Decorated B2N2 Nanosheets: A Periodic Density Functional Theory Study Energy and Fuels 19 High-Performance Hydrogen Storage Properties of Li-Decorated 2 B2N2 Nanosheets: A Periodic Density Functional Theory Study Energy and Fuels 20 Periodic DFT insights into hydrogen storage of a B4CN3 nanosheet NEW JOURNAL OF CHEMISTRY 21 Pristine B3CN4 monolayer for hydrogen storage: A first-principles approach Physics Letters A 22 Hydrogen storage on pristine and Li-decorated BC6N monolayer from first-principles insights MOLECULAR PHYSICS 23 Li-decorated Al2C monolayer as a potential template for hydrogen storage: A first-principles perspective International Journal of Quantum Chemistry 24 First-principles survey on the pristine BC2N monolayer as a promising vehicle for delivery of β-lapachone anticancer drug Journal of Molecular Liquids 25 Toxic volatile organic compounds sensing by Al2C monolayer: A first-principles outlook Journal of Hazardous Materials 26 Ab initio calculations and molecular dynamics simulation of H2 adsorption on CN3Be3+ cluster Structural Chemistry 27 Toxic volatile organic compounds sensing by Al2C monolayer: A first-principles outlook Journal of Hazardous Materials 28 First-principles study of superior hydrogen storage performance of Li-decorated Be2N6 monolayer International Journal of Hydrogen Energy 29 BC3 graphene-like monolayer as a drug delivery system for nitrosourea anticancer drug: A first-principles perception Applied Surface Science 30 The potential application of borazine (B3N3)-doped nanographene decorated with halides as anode materials for Li-ion batteries: a first-principles study Journal of Molecular Modeling 31 BC3 graphene-like monolayer as a drug delivery system for nitrosourea anticancer drug: A first-principles perception Applied Surface Science 32 Hydrogen abstraction of methanimine by X12N12 (X = B, Al) nanoclusters: a DFT study Structural Chemistry 33 Hydrazine trapping ability of Si12C12 fullerene-like nanoclusters: a DFT study Structural Chemistry 34 Hydrogen abstraction of methanimine by X12N12 (X = B, Al) nanoclusters: a DFT study Structural Chemistry 35 Hydrazine trapping ability of Si12C12 fullerene-like nanoclusters: a DFT study Structural Chemistry 36 Electronic properties of B12N12 fullerene–like nanoclusters functionalized with Schiff bases: a DFT study Structural Chemistry 37 Can bowl-like B30 nanostructure sense toxic cyanogen gas in air?: a theoretical study MOLECULAR PHYSICS 38 Adsorption of rare gases on the C20 nanocage: A theoretical investigation Materials Research Express 39 A computational study for the B30 bowl-like nanostructure as a possible candidate for drug delivery system for amantadine Computational and Theoretical Chemistry