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 برگزاری همایش ابداع اثر بدیع و ارزنده هنری عنوانمجله 1 A Novel Polyaramid Nanosheet for Sensing and Drug Delivery of Gemcitabine Anticancer Drug: A Computational Exploration BioNanoScience 2 DFT investigation of reversible hydrogen storage employing Li-decorated δ-5 boron monolayers Materials Science in Semiconductor Processing 3 Exploring the performance of pristine and vacancy-defected B3C2N3 nanosheets for the detection and removal of environmentally harmful radicals: a DFT study† NEW JOURNAL OF CHEMISTRY 4 In silico study of salicylic acid derivatives as inhibitors of Ebola proteins through molecular docking Computational Biology and Chemistry 5 Lithium decoration on B3O3 monolayer for enhanced reversible hydrogen storage: a DFT study Journal of nanoparticle research 6 High performance of a vacancy-defected B3C2N3 nanosheets for lithium storage in Li-ion batteries: A first-principles study Materials Science in Semiconductor Processing 7 Electronic transport and photoelectric properties of WTe2‑MoTe2 heterostructure transistor optical and quantum electronics 8 High capacity CO₂ capture by α-BeH₂ nanosheet through charge modulation: A first-principles study Materials Science in Semiconductor Processing 9 DFT study of the adsorption properties and sensitivity of a B2N monolayer toward harmful gases Scientific Reports 10 B3C2N3 monolayer as a potential biosensor for the sensitive and selective detection of liver cancer biomarkers: A DFT study Materials Science in Semiconductor Processing 11 Exploring the adsorption behavior of Ocontaining VOCs in human breath on a B2N monolayer using DFT simulations Physical Chemistry Chemical Physics 12 Adsorption capability and sensitivity of a pentagonal BCP nanosheet toward S‑containing pollutant gases: a DFT outlook Journal of nanoparticle research 13 Title Cited by Year Adsorption of arsenite (As3+) ions pollution by synthesized BC2N graphene-like nanosheets: DFT investigation Materials Science in Semiconductor Processing 14 Increasing the cell voltage of a magnesium ion battery with B24O24 anode through encapsulating halides: a DFT study Molecular Physics 15 A novel pentagonal BCN monolayer for sensing and drug delivery of nitrosourea and hydroxyurea anticancer drugs: A DFT outlook Materials Science in Semiconductor Processing 16 A study combining DFT and molecular dynamics simulations into the performance of B6N6 nanosheets for CO2 capture and separatio Applied Physics A 17 Covalent triazine-based monolayer with dual application in sensing and delivery of mercaptopurine anticancer drug: a periodic DFT study Molecular Physics 18 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 19 Sensing response of pentagonal B2C nanosheet towards VOCs: A study combining DFT and molecular dynamics simulations Chemical Physics 20 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 21 A periodic DFT study on superior adsorption of an azo dye over B3O3 monolayer Colloid & Nanoscience Journal 22 پHigh sensitivity of 2D covalent triazine framework for recognition of NO, NO2, and HO2 radicals: A periodic DFT study Chemical Physics Letters 23 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 24 Empowering hydrogen storage performance of B4C3 monolayer through decoration with lithium: A DFT study SURFACES AND INTERFACES 25 Potential application of XC3 (X = B, N) nanosheets in drug delivery of hydroxyurea anticancer drug: a comparative DFT study MOLECULAR PHYSICS 26 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 27 First‑principles studies on two‑dimensional B3O3 adsorbent as a potential drug delivery platform for TEPA anticancer drug Journal of Molecular Modeling 28 B3O3 monolayer: an emerging 2D material for CO2 capture NEW JOURNAL OF CHEMISTRY 29 Sensing ability of 2D Al2C monolayer toward toxic pnictogen hydrides: A first-principles perspective Sensors and Actuators A: Physical 30 Gas-sensing performance of BC3 nanotubes for detecting poisonous cyanogen gas: a periodic DFT approach NEW JOURNAL OF CHEMISTRY 31 High-Performance Hydrogen Storage Properties of Li-Decorated B2N2 Nanosheets: A Periodic Density Functional Theory Study Energy and Fuels 32 High-Performance Hydrogen Storage Properties of Li-Decorated 2 B2N2 Nanosheets: A Periodic Density Functional Theory Study Energy and Fuels 33 Periodic DFT insights into hydrogen storage of a B4CN3 nanosheet NEW JOURNAL OF CHEMISTRY 34 Pristine B3CN4 monolayer for hydrogen storage: A first-principles approach Physics Letters A 35 Hydrogen storage on pristine and Li-decorated BC6N monolayer from first-principles insights MOLECULAR PHYSICS 36 Li-decorated Al2C monolayer as a potential template for hydrogen storage: A first-principles perspective International Journal of Quantum Chemistry 37 First-principles survey on the pristine BC2N monolayer as a promising vehicle for delivery of β-lapachone anticancer drug Journal of Molecular Liquids 38 Toxic volatile organic compounds sensing by Al2C monolayer: A first-principles outlook Journal of Hazardous Materials 39 Ab initio calculations and molecular dynamics simulation of H2 adsorption on CN3Be3+ cluster Structural Chemistry 40 Toxic volatile organic compounds sensing by Al2C monolayer: A first-principles outlook Journal of Hazardous Materials 41 First-principles study of superior hydrogen storage performance of Li-decorated Be2N6 monolayer International Journal of Hydrogen Energy 42 BC3 graphene-like monolayer as a drug delivery system for nitrosourea anticancer drug: A first-principles perception Applied Surface Science 43 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 44 BC3 graphene-like monolayer as a drug delivery system for nitrosourea anticancer drug: A first-principles perception Applied Surface Science 45 Hydrogen abstraction of methanimine by X12N12 (X = B, Al) nanoclusters: a DFT study Structural Chemistry 46 Hydrazine trapping ability of Si12C12 fullerene-like nanoclusters: a DFT study Structural Chemistry 47 Hydrogen abstraction of methanimine by X12N12 (X = B, Al) nanoclusters: a DFT study Structural Chemistry 48 Hydrazine trapping ability of Si12C12 fullerene-like nanoclusters: a DFT study Structural Chemistry 49 Electronic properties of B12N12 fullerene–like nanoclusters functionalized with Schiff bases: a DFT study Structural Chemistry 50 Can bowl-like B30 nanostructure sense toxic cyanogen gas in air?: a theoretical study MOLECULAR PHYSICS 51 Adsorption of rare gases on the C20 nanocage: A theoretical investigation Materials Research Express 52 A computational study for the B30 bowl-like nanostructure as a possible candidate for drug delivery system for amantadine Computational and Theoretical Chemistry