Publications

Journal Publications:

  1. A. Masiha, A. Reisi-Vanani, DFT study of the electrochemical CO2 reduction by Sc to Ni single atom catalysts implanted on the pristine and N-doped-H4,4,4-graphyne, Fuel, 372 (2024) 132225.
  2. G. Jafari, A. Reisi-Vanani, Z. Tabandeh, Evaluation of the structural, electronic and magnetic properties of modified 8-16-4 graphyne by 3d transition metals: A DFT-D2 study, Diamond and Related Materials, 142 (2024) 110836.
  3. M. Dehkhodaei, A. Reisi-Vanani, M. Sedghi, Computational investigation of charge injection into modified graphdiyne nanosheet via Al doping and Li decoration to improve hydrogen adsorption, International Journal of Hydrogen Energy, 64 (2024) 349-359.
  4. A. Masiha, A. Reisi-Vanani, M. Hossein Darvishnejad, Evaluation of the CO2 reduction reaction using Mn and Cr single atom catalysts implanted on the g-C3N4 (heptazine): A DFT study, Computational and Theoretical Chemistry, 1234 (2024) 114540
  5. A. Meftahi, M. Shabani-Nooshabadi, A. Reisi-Vanani, Introducing GO/CuI nanostructure as active electrode matter for supercapacitors: A comparative investigation within two aqueous electrolytes, Journal of Energy Storage, 63 (2023) 107077.
  6. H. Shahinfard, M. Shabani-Nooshabadi, A. Reisi-Vanani, R. Darabi, Electrochemical sensor based on CuO/reduced graphene nanoribbons and ionic liquid for simultaneous determination of tramadol, olanzapine and acetaminophen, Carbon Letters, (2023) 1-12.
  7. Z. Tabandeh, A. Reisi-Vanani, Manipulation of the CO2 capture capability of graphdiyne using transition metal decoration and charge injection: A DFT-D2 study, Fuel, 333 (2023) 126295.
  8. A. Meftahi, A. Reisi-Vanani, M. Shabani-Nooshabadi, Comparison of performance of CuI/g-C3N4 nanocomposites synthesized on Ni-foam and graphitic substrates as suitable electrode materials for supercapacitors, Fuel, 331 (2023) 125683.
  9. M. Dehkhodaei, A. Reisi-Vanani, The effect of the electric field intensity on the hydrogen storage of B/N-co-doped graphdiyne nanosheet, International Journal of Hydrogen Energy, 47 (2022) 36886-36897.
  10. H. Shahinfard, M. Shabani-Nooshabadi, A. Reisi-Vanani, H. Ansarinejad, A novel platform based on CoMn2O4-rGO/1-ethyl-3-methylimidazolium chloride modified carbon paste electrode for voltammetric detection of pethidine in the presence morphine and olanzapine, Chemosphere, 301 (2022) 134710.
  11. A. Meftahi, M. Shabani-Nooshabadi, A. Reisi-Vanani, AgI/g-C3N4 nanocomposite as electrode material for supercapacitors: Comparative study for its efficiency in three different aqueous electrolytes, Electrochimica Acta, 430 (2022) 141052.
  12. M. Dehkhodaei, A. Reisi-Vanani, Effect of the charge injection and N and S co-doping on the structural and electronic properties, and hydrogen storage capacity of graphdiyne 2D structure, Surfaces and Interfaces, 31 (2022) 102031.
  13. K. Boezar, A. Reisi-Vanani, M. Dehkhodaei, Modification of graphenylene nanostructure with transition metals (Fe, Sc and Ti) to promote hydrogen storage ability: A DFT-D3 study, International Journal of Hydrogen Energy, 46 (2021) 38370-38380.
  14. Z. Tabandeh, A. Reisi-Vanani, Investigation of the adsorption behavior of two anticancer drugs on the pristine and BN-doped graphdiyne nanosheet: A DFT-D3 perception. Diamond and Related Materials, 119 (2021) 108564.
  15. Z. Mirzaie, A. Reisi-Vanani, M. Barati, S.M. Atyabi, The drug release kinetics and anticancer activity of the GO/PVA-curcumin nanostructures: The effects of the preparation method and the GO amount. Journal of Pharmaceutical Sciences, (2021).
  16. M.H. Darvishnejad, A. Reisi-Vanani, DFT-D3 calculations of the charge-modulated CO2 capture of N/Sc-embedded graphyne: Compilation of some factors. Journal of CO2 Utilization, 46 (2021) 101469.
  17. M.H. Darvishnejad, A. Reisi-Vanani, Synergetic effects of metals in graphyne 2D carbon structure for high promotion of CO2 capturing, Chemical Engineering Journal 406 (2021) 126749.
  18. M. Ebadi, A. Reisi-Vanani, Methanol and carbon monoxide sensing and capturing by pristine and Ca-decorated graphdiyne: A DFT-D2 study, Physica E: Low-dimensional Systems and Nanostructures 125 (2021) 114425.
  19. F. Mofidi, A. Reisi-Vanani, Investigation of the electronic and structural properties of graphyne oxide toward CO, CO2 and NH3 adsorption: A DFT and MD study, Applied Surface Science 507 (2020) 145134.
  20. M.H. Darvishnejad, A. Reisi-Vanani, Density functional theory  study of CO2 capture and storage promotion using manipulation of graphyne by 3d and 4d transition metals. International Journal of Quantum Chemistry, 120 (2020) e26342.
  21. M.H. Darvishnejad, A. Reisi-Vanani, Multiple CO2 capture in pristine and Sr-decorated graphyne: A DFT-D3 and AIMD study, Computational Materials Science 176 (2020) 109539.
  22. M. Algarra, J. Soto, L. Pinto da Silva, M.S. Pino-González, J.E. Rodríguez-Borges, J. Mascetti, F. Borget, A. Reisi-Vanani, R. Luque, Insights into the Photo-Decomposition of Azidomethyl Methyl Sulfide: A S2/S1 Conical Intersection on Nitrene Potential Energy Surfaces Leads to Formation of S-Methyl-N-Sulfenylmethanimine, The Journal of Physical Chemistry A 124 (2020) 1911-1921.
  23. H. Teymourinia, M. Hossein Darvishnejad, O. Amiri, M. Salavati-Niasari, A. Reisi-Vanani, E. Ghanbari, H. Moayedi, GQDs/Sb2S3/TiO2 as a co-sensitized in DSSs: Improve the power conversion efficiency of DSSs through increasing light harvesting by using as-synthesized nanocomposite and mirror, Applied Surface Science 512 (2020) 145638.
  24. S.K. Nasiri, A. Reisi-Vanani, M. Hamadanian, Molecular Structure, Spectroscopic, Local and Global Reactivity Descriptors and NBO Analysis of C32H12: A New Buckybowl and Sub-Fullerene Structure, Polycyclic Aromatic Compounds 40 (2020) 693–704.
  25. F. Akbari, A. Reisi-Vanani, M.H. Darvishnejad, DFT study of the electronic and structural properties of single Al and N atoms and Al-N co-doped graphyne toward hydrogen storage, Applied Surface Science, 488 (2019) 600-610.
  26. F. Mofidi, A. Reisi-Vanani, Sensing and elimination of the hazardous materials such as Sarin by metal functionalized γ-graphyne surface: A DFT study, Journal of Molecular Liquids, 286 (2019) 110929.
  27. Z. Mirzaie, A. Reisi-Vanani, M. Barati, Polyvinyl alcohol-sodium alginate blend, composited with 3D-graphene oxide as a controlled release system for curcumin, Journal of Drug Delivery Science and Technology, 50 (2019) 380-387.
  28. M. Shams, A. Reisi-Vanani, Potassium decorated γ-graphyne as hydrogen storage medium: Structural and electronic properties, International Journal of Hydrogen Energy, 44 (2019) 4907-4918.
  29. M. Ebadi, A. Reisi-Vanani, F. Houshmand, P. Amani, Calcium-decorated graphdiyne as a high hydrogen storage medium: Evaluation of the structural and electronic properties, International Journal of Hydrogen Energy, 43(52) (2018) 23346-23356.
  30. S.-D. Mousavi, F. Maghsoodi, F. Panahandeh, R. Yazdian-Robati, A. Reisi-Vanani, M. Tafaghodi, Doxorubicin delivery via magnetic nanomicelles comprising from reduction-responsive poly(ethylene glycol)‑b‑poly(ε‑caprolactone) (PEG-SS-PCL) and loaded with superparamagnetic iron oxide (SPIO) nanoparticles: Preparation, characterization and simulation, Materials Science and Engineering: C, 92 (2018) 631-643.
  31. F. Hajizadeh, A. Reisi-Vanani, Y.T. Azar, Theoretical design of Zn-dithiaporphyrins as sensitizer for dye-sensitized solar cells, Current Applied Physics, 18 (2018) 1122-1133.
  32. A. Rezaei, A. Reisi-Vanani, S. Masoum, An Application of Geometrical Isometries in Nonplanar Molecules, Iranian Journal of Mathematical Chemistry, 9(4) (2018) 255-261.
  33. نرگس صائمی، مهدی شبانی نوش آبادی، سعید معصوم، عادل رئیسی وانانی، بررسی خواص بازدارندگی شیف بیس[2-(فنیل تیو) بنزیلیدن] 1و4-فنیلن دی آمین بر خوردگی فولاد 310 در محیط اسیدی با استفاده از طراحی آزمایش و محاسبات کوانتومی، فصل نامه علوم و مهندسی خوردگی، سال هفتم (2017) 61-73.
  34. عادل رئیسی وانانی، فاطمه حاجیزاده، بررسی خصلت آروماتیکی برخی نانوساختارهای کربنی پلی سیکلی کاسه ای شکل, شیمی کاربردی دانشگاه سمنان، 44 (2017) 109-120.
  35. A. Reisi-Vanani, F. Shamsali, Influence of nitrogen doping in sumanene framework toward hydrogen storage: A computational study, Journal of Molecular Graphics and Modelling, 76 (2017) 475-487.
  36. A. Reisi-Vanani, Z. Shabani, Evaluation of the hydrogen adsorption onto Li and Li + decorated circumtrindene (C36H12): A theoretical study, International Journal of Hydrogen Energy, 42 (2017) 22973-22986.
  37. A. Reisi-Vanani, M. Safipoor, Investigation of carbon monoxide adsorption onto sumanene (C21H12) decorated with Li+ ions toward its elimination, Current Applied Physics, 17 (2017) 1382-1395.
  38. A. Reisi-Vanani, S. Hoseinpour, A theoretical investigation of decomposition and reactivity of the atmospheric C3F7OCH2O radical, Arabian Journal of Chemistry, 10 (2017) S1604-S1612.
  39. M. Afzalkhah, S. Masoum, M. Behpour, H. Naeimi, A. Reisi-Vanani, Experimental and Theoretical Investigation of Inhibition Efficiency of 2-(2-Hydroxyphenyl)-benzothiazole Using Impedance Spectroscopy, Experimental Design, and Quantum Chemical Calculations, Industrial & Engineering Chemistry Research, 56 (2017) 9035-9044.
  40. A. Reisi-Vanani, S. Mehrdoust, Effect of boron doping in sumanene frame toward hydrogen physisorption: A theoretical study, International Journal of Hydrogen Energy, 41 (2016) 15254-15265.
  41. A. Reisi-Vanani, M. Hamadanian, S.N. Kokhdan, Functionalization of the sumanene by nitrous oxide: A mechanistic study, Computational and Theoretical Chemistry, 1082 (2016) 49-57.
  42. A. Reisi-Vanani, M. Hamadanian, S.N. Kokhdan, Comprehensive theoretical study of the phenyl azide addition onto armchair (5, 5) single wall carbon nanotube, Computational and Theoretical Chemistry, 1075 (2016) 38-46.
  43. A. Reisi-Vanani, S. Faghih, Nucleus-Independent Chemical Shift Criterion for Aromaticity in Some of the Corannulene Derivatives as Carbon Nanostructure: Effect of Substituent Groups on Aromaticity, Polycyclic Aromatic Compounds, 36 (2016) 120-131.
  44. A. Reisi-Vanani, S. Bahramian, Diazomethane addition to sumanene as a subfullerene structure: A theoretical mechanistic study, Computational and Theoretical Chemistry, 1093 (2016) 40-47.
  45. S. Nasiri Kokhdan, A. Reisi-Vanani, M. Hamadanian, Ab initio and TD-DFT study of the structural and spectroscopic properties of C30H10 as a new buckybowl, Fullerenes, Nanotubes and Carbon Nanostructures, 24 (2016) 577-587.
  46. S. Hoseinpour, A. Reisi-Vanani, A mechanistic study for decomposition and reactivity of the C4F9OC2H4O radical derived from HFE-7200 between 200‒400 K, Progress in Reaction Kinetics and Mechanism, (2016).
  47. A. Reisi-Vanani, L. Shahrokh, S.N. Kokhdan, Theoretical study of the corannulene ozonolysis and evaluation of the various reaction paths, Computational and Theoretical Chemistry, 1051 (2015) 72-78.
  48. A. Reisi-Vanani, A.A. Rezaei, Evaluation of the aromaticity of non-planar and bowl-shaped molecules by NICS criterion, Journal of Molecular Graphics and Modelling, 61 (2015) 85-88.
  49. A. Reisi-Vanani, S. Rahimi, S.N. Kokhdan, H. Ebrahimpour-Komleh, Computational study of the gas phase reaction of hydrogen azide and corannulene: A DFT study, Computational and Theoretical Chemistry, 1070 (2015) 94-101.
  50. A. Reisi-Vanani, S. Hoseinpour, A computational study of the mechanism and kinetics for gas-phase decomposition and reactivity of the C4F9OCH2O radical between 200 and 400 K, Progress in Reaction Kinetics and Mechanism, 40 (2015) 59-68.
  51. V. Jabbari, M. Hamadanian, A. Reisi-Vanani, P. Razi, S. Hoseinifard, D. Villagran, In,V-codoped TiO2 nanocomposite prepared via a photochemical reduction technique as a novel high efficiency visible-light-driven nanophotocatalyst, RSC Advances, 5 (2015) 78128-78135.
  52. M. Izadyar, N. Zavvar, M. Khavani, A. Reisi-vanani, Secondary Structure Effects on the Acidity of Histidine and Lysine-Based Peptides Model; A Theoretical Study, Physical Chemistry Research, 3 (2015) 67-77.
  53. A. Reisi-Vanani, S. Faghih, Computational study of the molecular hydrogen physisorption in some of the corannulene derivatives as a carbon nanostructure, Journal of Saudi Chemical Society, 18 (2014) 666-673.
  54. A. Reisi-Vanani, L. Alihoseini, Evaluation of the Aromaticity of a Non-Planar Carbon Nano-Structure by Nucleus-Independent Chemical Shift Criterion: Aromaticity of the Nitrogen-Doped Corannulene, Journal of Nanostructures, 4 (2014) 153-159.
  55. A. Reisi-Vanani, L. Alihoseini, Computational investigation of the adsorption of molecular hydrogen on the nitrogen-doped corannulene as a carbon nano-structure, Surface Science, 621 (2014) 146-151.
  56. A. Reisi-Vanani, M. Izadyar, A theoretical study of the mechanism and kinetics of the thermal decomposition of carbamoyl azide, Progress in Reaction Kinetics and Mechanism, 38 (2013) 305-315.
  57. M. Hamadanian, A. Reisi-Vanani, P. Razi, S. Hoseinifard, V. Jabbari, Photodeposition-assisted synthesis of novel nanoparticulate In, S-codoped TiO2 powders with high visible light-driven photocatalytic activity, Applied Surface Science, 285 (2013) 121-129.
  58. M. Hamadanian, A. Reisi-Vanani, M. Behpour, A. Esmaeily, Synthesis and characterization of Fe, S-codoped TiO2 nanoparticles: Application in degradation of organic water pollutants, Desalination, 281 (2011) 319-324.
  59. M. Hamadanian, A. Reisi-Vanani, A. Majedi, Sol-gel preparation and characterization of Co/TiO2 nanoparticles: application to the degradation of methyl orange, Journal of the Iranian Chemical Society, 7 (2010) S52-S58.
  60. M. Hamadanian, A. Reisi-Vanani, A. Majedi, Synthesis, characterization and effect of calcination temperature on phase transformation and photocatalytic activity of Cu, S-codoped TiO2 nanoparticles, Applied Surface Science, 256 (2010) 1837-1844.
  61. M. Hamadanian, A. Reisi-Vanani, A. Majedi, Preparation and characterization of S-doped TiO2 nanoparticles, effect of calcination temperature and evaluation of photocatalytic activity, Materials Chemistry and Physics, 116 (2009) 376-382.