All Stories

  1. Ultrasonic route synthesis, characterization and electrochemical study of graphene oxide and reduced graphene oxide

    Article • Research on Chemical Intermediates, October 2018, Springer Science + Business Media

    Javad Beheshtian

  2. First-Principles Study of Water Nanotubes Captured Inside Carbon/Boron Nitride Nanotubes

    Article • Langmuir, August 2018, American Chemical Society (ACS)

    Javad Beheshtian

  3. Effect of nitrogen doping on electronic and optical properties of ZnO sheet: DFT+U study

    Article • Computational Condensed Matter, June 2018, Elsevier

    Javad Beheshtian

  4. Corrigendum: Experimental and Theoretical Study of Enhanced Photocatalytic Activity of Mg-Doped ZnO NPs and ZnO/rGO Nanocomposites

    Article • Chemistry - An Asian Journal, May 2018, Wiley

    Dr Ramin Yousefi, Javad Beheshtian

  5. Investigation of Interaction Between Graphene and Its Compounds as Carriers on Anti-Cancer Drug of 5-Fluorouracil

    Article • Eurasian Journal of Analytical Chemistry, April 2018, Modestum Limited

    Javad Beheshtian

  6. Experimental and Theoretical Study of Enhanced Photocatalytic Activity of Mg-Doped ZnO NPs and ZnO/rGO Nanocomposites

    Article • Chemistry - An Asian Journal, January 2018, Wiley

    Dr Ramin Yousefi, Javad Beheshtian

  7. A Theoretical Model Based on Modified Fullerenes for Photodynamic Therapy of Cancer

    Article • Journal of Computational and Theoretical Nanoscience, January 2018, American Scientific Publishers

    Javad Beheshtian

  8. Nanoscale investigation of the influence of water on the elastic properties of C–S–H gel by molecular simulation

    Article • Proceedings of the Institution of Mechanical Engineers Part L Journal of Materials Design and Applications, November 2017, SAGE Publications

    Dr Amir Tarighat, Javad Beheshtian

  9. Effects of functionalization and side defects on single-photon emission in boron nitride quantum dots

    Article • October 2017, American Physical Society (APS)

    Javad Beheshtian

  10. Toxic CO detection by Li-encapsulated fullerene-like BeO

    Article • Structural Chemistry, August 2017, Springer Science + Business Media

    Javad Beheshtian

  11. Voltammetric Sensor Based on Fe-doped ZnO and TiO2 Nanostructures-modified Carbon-paste Electrode for Determination of Levodopa

    Article • Journal of Electronic Materials, June 2017, Springer Science + Business Media

    Javad Beheshtian

  12. Reversible structural transition in nanoconfined ice

    Article • February 2017, American Physical Society (APS)

    Javad Beheshtian

  13. Synthesis of undoped and Fe nanoparticles doped SnO2 nanostructure: study of structural, optical and electrocatalytic properties

    Article • Journal of Materials Science Materials in Electronics, February 2017, Springer Science + Business Media

    Javad Beheshtian

  14. Electrochemical and DFT study of an anticancer and active anthelmintic drug at carbon nanostructured modified electrode

    Article • Materials Science and Engineering C, December 2016, Elsevier

    Javad Beheshtian

  15. Van der Waals pressure and its effect on trapped interlayer molecules

    Article • Nature Communications, July 2016, Springer Science + Business Media

    Javad Beheshtian

  16. Hydrogen storage by BeO nano-cage: A DFT study

    Article • Applied Surface Science, April 2016, Elsevier

    Javad Beheshtian

  17. Highly sensitive and selective ethanol and acetone gas sensors by adding some dopants (Mn, Fe, Co, Ni) onto hexagonal ZnO plates

    Article • RSC Advances, January 2016, Royal Society of Chemistry

    Javad Beheshtian

  18. Microporous titania–silica nanocomposite catalyst-adsorbent for ultra-deep oxidative desulfurization

    Article • Applied Catalysis B Environment and Energy, January 2016, Elsevier

    Javad Beheshtian

  19. Selective separation behavior of graphene flakes in interaction with halide anions in the presence of an external electric field

    Article • Physical Chemistry Chemical Physics, January 2016, Royal Society of Chemistry

    Javad Beheshtian

  20. Graphene-silicene bilayer: A nanocapacitor with permanent dipole and piezoelectricity effect

    Article • Physical Review B, October 2015, American Physical Society (APS)

    Javad Beheshtian

  21. Preparation of Cu2O nanostructures by changing reducing agent and their optical properties

    Article • Materials Letters, August 2015, Elsevier

    Javad Beheshtian

  22. Highly active Fe 2 O 3 -doped TiO 2 photocatalyst for degradation of trichloroethylene in air under UV and visible light irradiation: Experimental and computational studies

    Article • Applied Catalysis B Environment and Energy, April 2015, Elsevier

    Javad Beheshtian

  23. Theoretical prediction of silicene as a new candidate for the anode of lithium-ion batteries

    Article • Physical Chemistry Chemical Physics, January 2015, Royal Society of Chemistry

    Javad Beheshtian

  24. Experimental and theoretical study of CO adsorption on the surface of single phase hexagonally plate ZnO

    Article • Applied Surface Science, October 2014, Elsevier

    Javad Beheshtian

  25. Preparation of uniform 2D ZnO nanostructures by the ionic liquid-assisted sonochemical method and their optical properties

    Article • Ceramics International, July 2014, Elsevier

    Javad Beheshtian

  26. Synthesis, identification, crystal structure and theoretical study of a Ce(IV) complex

    Article • Journal of the Iranian Chemical Society, February 2014, Springer Science + Business Media

    Javad Beheshtian

  27. Computational study of ammonia adsorption on the perfect and rippled graphene sheet

    Article • Physica B Condensed Matter, November 2013, Elsevier

    Javad Beheshtian

  28. Doping effect on the adsorption of NH3 molecule onto graphene quantum dot: From the physisorption to the chemisorption

    Article • Journal of Applied Physics, September 2013, American Institute of Physics

    Javad Beheshtian

  29. Theoretical investigation of azo dyes adsorbed on cellulose fibers: 2. Spectroscopic study

    Article • Journal of the Iranian Chemical Society, June 2013, Springer Science + Business Media

    Javad Beheshtian

  30. Boron Nitride Monolayer: A Strain-Tunable Nanosensor

    Article • The Journal of Physical Chemistry C, June 2013, American Chemical Society (ACS)

    Javad Beheshtian

  31. Ammonia monitoring by carbon nitride nanotubes: A density functional study

    Article • Thin Solid Films, May 2013, Elsevier

    Javad Beheshtian

  32. Sensing behavior of Al and Si doped BC3 graphenes to formaldehyde

    Article • Sensors and Actuators B Chemical, May 2013, Elsevier

    Javad Beheshtian

  33. A DFT study on the functionalization of a BN nanosheet with PCX, (PC=phenyl carbamate, X=OCH3, CH3, NH2, NO2 and CN)

    Article • Applied Surface Science, March 2013, Elsevier

    Javad Beheshtian

  34. Spiral graphone and one-sided fluorographene nanoribbons

    Article • Physical Review B, February 2013, American Physical Society (APS)

    Javad Beheshtian

  35. Density-functional calculations of HCN adsorption on the pristine and Si-doped graphynes

    Article • Structural Chemistry, February 2013, Springer Science + Business Media

    Javad Beheshtian

  36. Theoretical investigation of azo dyes adsorbed on cellulose fibers: 1. Electronic and bonding structures

    Article • Journal of the Iranian Chemical Society, February 2013, Springer Science + Business Media

    Javad Beheshtian

  37. DFT study on the functionalization of a BN nanotube with sulfamide

    Article • Applied Surface Science, February 2013, Elsevier

    Javad Beheshtian

  38. Theoretical study on the functionalization of BC2N nanotube with amino groups

    Article • Journal of Molecular Modeling, January 2013, Springer Science + Business Media

    Javad Beheshtian

  39. Sensing behavior of Al-rich AlN nanotube toward hydrogen cyanide

    Article • Journal of Molecular Modeling, January 2013, Springer Science + Business Media

    Javad Beheshtian

  40. Functionalization of BN nanosheet with N2H4 may be feasible in the presence of Stone–Wales defect

    Article • Structural Chemistry, January 2013, Springer Science + Business Media

    Javad Beheshtian

  41. Carbon nitride nanotube as a sensor for alkali and alkaline earth cations

    Article • Applied Surface Science, January 2013, Elsevier

    Javad Beheshtian

  42. Exohedral and endohedral adsorption of alkaline earth cations in BN nanocluster

    Article • Journal of Molecular Modeling, December 2012, Springer Science + Business Media

    Javad Beheshtian

  43. Adsorption of Na, Mg, and Al atoms on BN nanotubes

    Article • Thin Solid Films, December 2012, Elsevier

    Javad Beheshtian

  44. Formaldehyde adsorption on the interior and exterior surfaces of CN nanotubes

    Article • Structural Chemistry, November 2012, Springer Science + Business Media

    Javad Beheshtian

  45. Induced polarization and electronic properties of carbon-doped boron nitride nanoribbons

    Article • Physical Review B, November 2012, American Physical Society (APS)

    Javad Beheshtian

  46. Nitrous oxide adsorption on pristine and Si-doped AlN nanotubes

    Article • Journal of Molecular Modeling, October 2012, Springer Science + Business Media

    Javad Beheshtian

  47. Arsenic interactions with a fullerene-like BN cage in the vacuum and aqueous phase

    Article • Journal of Molecular Modeling, October 2012, Springer Science + Business Media

    Javad Beheshtian

  48. Quantum chemical study of fluorinated AlN nano-cage

    Article • Applied Surface Science, October 2012, Elsevier

    Javad Beheshtian

  49. Functionalization of [60] fullerene with butadienes: A DFT study

    Article • Applied Surface Science, September 2012, Elsevier

    Javad Beheshtian

  50. Selective function of Al12N12 nano-cage towards NO and CO molecules

    Article • Computational Materials Science, September 2012, Elsevier

    Javad Beheshtian

  51. Carbon nanotube functionalization with carboxylic derivatives: a DFT study

    Article • Journal of Molecular Modeling, August 2012, Springer Science + Business Media

    Javad Beheshtian

  52. Hydrogen dissociation on diene-functionalized carbon nanotubes

    Article • Journal of Molecular Modeling, August 2012, Springer Science + Business Media

    Javad Beheshtian

  53. Adsorption and dissociation of Cl2 molecule on ZnO nanocluster

    Article • Applied Surface Science, August 2012, Elsevier

    Javad Beheshtian

  54. Detection of phosgene by Sc-doped BN nanotubes: A DFT study

    Article • Sensors and Actuators B Chemical, August 2012, Elsevier

    Javad Beheshtian

  55. AlN nanotube as a potential electronic sensor for nitrogen dioxide

    Article • Microelectronics Journal, July 2012, Elsevier

    Javad Beheshtian

  56. Theoretical investigation of C60 fullerene functionalization with tetrazine

    Article • Computational and Theoretical Chemistry, July 2012, Elsevier

    Javad Beheshtian

  57. The Alkali Metal Interactions with MgO Nanotubes

    Article • Bulletin of the Korean Chemical Society, June 2012, Korean Chemical Society

    Javad Beheshtian

  58. Electronic sensor for sulfide dioxide based on AlN nanotubes: a computational study

    Article • Journal of Molecular Modeling, June 2012, Springer Science + Business Media

    Javad Beheshtian

  59. A first-principles study of H2S adsorption and dissociation on the AlN nanotube

    Article • Physica E Low-dimensional Systems and Nanostructures, June 2012, Elsevier

    Javad Beheshtian

  60. Theoretical study of CO adsorption on the surface of BN, AlN, BP and AlP nanotubes

    Article • Surface Science, June 2012, Elsevier

    Javad Beheshtian

  61. Ab initio study of NH3 and H2O adsorption on pristine and Na-doped MgO nanotubes

    Article • Structural Chemistry, May 2012, Springer Science + Business Media

    Javad Beheshtian

  62. Co-adsorption of CO molecules at the open ends of MgO nanotubes

    Article • Structural Chemistry, May 2012, Springer Science + Business Media

    Javad Beheshtian

  63. Nitrate adsorption by carbon nanotubes in the vacuum and aqueous phase

    Article • Monatshefte für Chemie - Chemical Monthly, March 2012, Springer Science + Business Media

    Javad Beheshtian

  64. Theoretical study of hydrogen adsorption on the B12P12 fullerene-like nanocluster

    Article • Computational Materials Science, March 2012, Elsevier

    Javad Beheshtian

  65. Interaction of small molecules (NO, H2, N2, and CH4) with BN nanocluster surface

    Article • Structural Chemistry, February 2012, Springer Science + Business Media

    Javad Beheshtian

  66. B12N12Nano-cage as Potential Sensor for NO2Detection

    Article • Chinese Journal of Chemical Physics, February 2012, American Institute of Physics

    Javad Beheshtian

  67. Computational study of CO and NO adsorption on magnesium oxide nanotubes

    Article • Physica E Low-dimensional Systems and Nanostructures, December 2011, Elsevier

    Javad Beheshtian

  68. Toxic CO detection by B12N12 nanocluster

    Article • Microelectronics Journal, December 2011, Elsevier

    Javad Beheshtian

  69. A theoretical study of CO adsorption on aluminum nitride nanotubes

    Article • Structural Chemistry, November 2011, Springer Science + Business Media

    Javad Beheshtian

  70. A comparative study on the B12N12, Al12N12, B12P12 and Al12P12 fullerene-like cages

    Article • Journal of Molecular Modeling, November 2011, Springer Science + Business Media

    Javad Beheshtian

  71. The H2 dissociation on the BN, AlN, BP and AlP nanotubes: a comparative study

    Article • Journal of Molecular Modeling, October 2011, Springer Science + Business Media

    Javad Beheshtian

  72. Benchmarking of ONIOM method for the study of NH3 dissociation at open ends of BNNTs

    Article • Journal of Molecular Modeling, August 2011, Springer Science + Business Media

    Javad Beheshtian

  73. Interaction of NH3 with aluminum nitride nanotube: Electrostatic vs. covalent

    Article • Physica E Low-dimensional Systems and Nanostructures, July 2011, Elsevier

    Javad Beheshtian

  74. The effect of surface curvature of aluminum nitride nanotubes on the adsorption of NH3

    Article • Structural Chemistry, June 2011, Springer Science + Business Media

    Javad Beheshtian

  75. Photo-oxidation of phenylazonaphthol dyes and their reactivity analysis in the gas phase and adsorbed on cellulose fibers states using DFT and TD-DFT

    Article • Dyes and Pigments, April 2011, Elsevier

    Javad Beheshtian

  76. Chemisorption of NH3 at the open ends of boron nitride nanotubes: a DFT study

    Article • Structural Chemistry, December 2010, Springer Science + Business Media

    Javad Beheshtian

  77. Computational study on the characteristics of the interaction in linear urea clusters

    Article • International Journal of Quantum Chemistry, October 2010, Wiley

    Javad Beheshtian

  78. A computational study of water adsorption on boron nitride nanotube

    Article • Structural Chemistry, September 2010, Springer Science + Business Media

    Javad Beheshtian

  79. DFT study of NH3(H2O)n=0,1,2,3 complex adsorption on the (8,0) single-walled carbon nanotube

    Article • Computational Materials Science, May 2010, Elsevier

    Javad Beheshtian

  80. DFT study of NH3 adsorption on the (5,0), (8,0), (5,5) and (6,6) single-walled carbon nanotubes. Calculated binding energies, NMR and NQR parameters

    Article • Physica B Condensed Matter, March 2010, Elsevier

    Javad Beheshtian

  81. A density functional study of 15N chemical shielding tensors in quinolines

    Article • Chemical Physics Letters, July 2009, Elsevier

    Javad Beheshtian

  82. 15N CHEMICAL SHIFT CALCULATIONS AND NATURAL BONDING ORBITAL ANALYSES OF (BENZAMIDE)n = 1 - 6 CLUSTERS

    Article • Journal of Theoretical and Computational Chemistry, January 2009, World Scientific Pub Co Pte Lt

    Javad Beheshtian

  83. Theoretical 14N nuclear quadrupole resonance parameters for sulfa drugs: Sulfamerazine and sulfathiazole

    Article • Journal of Molecular Graphics and Modelling, October 2008, Elsevier

    Javad Beheshtian