J. Beheshtian

发表

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

Seyedeh Mozhgan Seyed-Talebi, I. Kazeminezhad, J. Beheshtian, 2015, Physical chemistry chemical physics : PCCP.

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

J. Beheshtian, A. A. Peyghan, Z. Bagheri, 2012 .

Ammonia monitoring by carbon nitride nanotubes: A density functional study

M. Noei, J. Beheshtian, A. A. Peyghan, 2013 .

Ab Initio Study of Mono-Layer Graphene as an Electronical or Optical Sensor for Detecting B, N, O and F Atoms

J. Beheshtian, M. Goudarzi, S. S. Parhizgar, 2019, Journal of Electronic Materials.

Spiral graphone and one-sided fluorographene nanoribbons

S. Singh, F. Peeters, J. Beheshtian, 2013, 1303.2260.

Boron Nitride Monolayer: A Strain-Tunable Nanosensor

A. Sadeghi, F. Peeters, K. Michel, 2013, 1309.3056.

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

J. Beheshtian, A. A. Peyghan, Z. Bagheri, 2012 .

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

J. Beheshtian, N. Hadipour, M. Esrafili, 2011 .

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

J. Beheshtian, A. A. Peyghan, Z. Bagheri, 2012, Structural Chemistry.

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

J. Beheshtian, Z. Bagheri, Mohammad Kamfiroozi, 2012, Journal of Molecular Modeling.

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

J. Beheshtian, A. A. Peyghan, Z. Bagheri, 2013, Journal of Molecular Modeling.

Helium selectivity of H-, B-, N-, and F- doped nanoporous graphene membranes in the presence of natural gas: A density functional theory study

J. Beheshtian, S. Mansouri, S. Daryabari, 2020 .

THE EFFECT OF CONCEPT MAPPING ON ACADEMIC ACHIEVEMENT LEVELS AND HIGH LEVELS OF SELF-REGULATED LEARNING TOPICS ATOMIC STRUCTURE

J. Beheshtian, Mostafa Abbasi, 2014 .

Formaldehyde adsorption on the interior and exterior surfaces of CN nanotubes

J. Beheshtian, A. A. Peyghan, Z. Bagheri, 2013, Structural Chemistry.

Fundamental mechanisms of hexagonal boron nitride sensing of dopamine, tryptophan, ascorbic acid, and uric acid by first-principles study

A. Ramazani, J. Beheshtian, F. Shayeganfar, 2022, Journal of Molecular Modeling.

Electrodeposition of CoxNiVyOz Ternary Nanopetals on Bare and rGO-Coated Nickel Foam for High-Performance Supercapacitor Application

E. Diau, M. Cheraghizade, Seyedeh Mozhgan Seyed-Talebi, 2022, Nanomaterials.

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

J. Beheshtian, N. Hadipour, H. Sabzyan, 2014, Journal of the Iranian Chemical Society.

DFT studies of functionalized carbon nanotubes as nanoadsorbent of a benzimidazole fungicide compound

J. Beheshtian, Masoumeh Ghalkhani, M. Salehi, 2018 .

Toxic CO detection by Li-encapsulated fullerene-like BeO

J. Beheshtian, Isa Ravaei, 2018, Structural Chemistry.

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

R. Yousefi, F. Jamali-Sheini, Seyedeh Mozhgan Seyed-Talebi, 2018, Chemistry, an Asian journal.

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

J. Beheshtian, Masoumeh Ghalkhani, Azam Anaraki Firooz, 2017, Journal of Electronic Materials.

DFT study on the functionalization of a BN nanotube with sulfamide

J. Beheshtian, A. A. Peyghan, Z. Bagheri, 2013 .

Van der Waals pressure and its effect on trapped interlayer molecules

S. Haigh, A. Geim, R. Nair, 2016, Nature Communications.

Phase transition and mechanical properties of cesium bismuth silver halide double perovskites (Cs2AgBiX6, X = Cl, Br, I): a DFT approach.

J. Beheshtian, R. Shahsavari, F. Shayeganfar, 2020, Physical chemistry chemical physics : PCCP.

Natural pigments in dye-sensitized solar cell (DSSC): a DFT-TDDFT study

J. Beheshtian, Farzaneh Zanjanchi, 2018, Journal of the Iranian Chemical Society.

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

J. Beheshtian, Masoumeh Ghalkhani, Azam Anaraki Firooz, 2017, Journal of Materials Science: Materials in Electronics.

Fundamental mechanisms of hexagonal boron nitride sensing of dopamine, tryptophan, ascorbic acid, and uric acid by first-principles study

A. Ramazani, J. Beheshtian, F. Shayeganfar, 2022, Journal of Molecular Modeling.

A DFT study on the potential application of pristine, B and N doped carbon nanocones in potassium-ion batteries

J. Beheshtian, S. Mansouri, Hoda Mousavi Berenjaghi, 2021, Journal of Molecular Modeling.

Effect of vacancy modification on the quantum capacitance of silicene- based electrode in efficient supercapacitors

J. Beheshtian, S. Mansouri, Z. H. T. Gheshlagh, 2022, Thin Solid Films.

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

M. Ghadermazi, J. Beheshtian, F. Manteghi, 2014, Journal of the Iranian Chemical Society.

Highly active Fe2O3-doped TiO2 photocatalyst for degradation of trichloroethylene in air under UV and visible light irradiation: Experimental and computational studies

Y. Mortazavi, A. Khodadadi, J. Beheshtian, 2015 .

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

J. Beheshtian, H. Soleymanabadi, Mohammad Kamfiroozi, 2012, Journal of Molecular Modeling.

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

J. Beheshtian, N. Hadipour, A. Ahmadi, 2011 .

Experimental and Theoretical Study of Porous Al2O3

J. Beheshtian, S. S. Parhizgar, Shabnam Taheriniya, 2021, Transactions of the Indian Institute of Metals.

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

J. Beheshtian, Masoumeh Ghalkhani, M. Salehi, 2016, Materials science & engineering. C, Materials for biological applications.

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

J. Beheshtian, Seyedeh Mozhgan Seyed‐Talebi, 2013 .

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

J. Beheshtian, A. A. Peyghan, Z. Bagheri, 2012 .

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

J. Beheshtian, M. Sabbaghan, Rasoul Niazmand Liarjdame, 2015 .

Electronic, magnetic and optical properties of Fe-doped nano-BN sheet: DFT study

A. Boochani, J. Beheshtian, S. S. Parhizgar, 2020, Indian Journal of Physics.

Exohedral and endohedral adsorption of alkaline earth cations in BN nanocluster

J. Beheshtian, A. A. Peyghan, Z. Bagheri, 2013, Journal of Molecular Modeling.

Nitrous oxide adsorption on pristine and Si-doped AlN nanotubes

J. Beheshtian, A. A. Peyghan, Z. Bagheri, 2013, Journal of Molecular Modeling.

Theoretical study on the functionalization of BC2N nanotube with amino groups

J. Beheshtian, Ali Ahmadi Peyghan, 2013, Journal of Molecular Modeling.

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

D. Spoel, J. Beheshtian, N. Hadipour, 2009 .

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

J. Beheshtian, N. Hadipour, M. Esrafili, 2010 .

AlN nanotube as a potential electronic sensor for nitrogen dioxide

Javad Beheshtian, Mohammad T. Baei, Zargham Bagheri, 2012, Microelectron. J..

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

Alireza Haghighat Mamaghani, Javad Beheshtian, Levi T. Thompson, 2016 .

Quantum chemical study of fluorinated AlN nano-cage

J. Beheshtian, A. A. Peyghan, Z. Bagheri, 2012 .

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

A. Sadeghi, F. Peeters, K. Michel, 2012, 1204.3157.

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

J. Beheshtian, M. Neek-Amal, Seyedeh Mozhgan Seyed‐Talebi, 2013 .

A computational study on the novel defects of graphene quantum dot as a promising anode material for sodium ion battery

J. Beheshtian, M. Karimkhani, S. Mansouri, 2021 .

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

J. Beheshtian, N. Hadipour, H. Sabzyan, 2013, Journal of the Iranian Chemical Society.

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

J. Beheshtian, Masoumeh Ghalkhani, M. Sabbaghan, 2018, Research on Chemical Intermediates.

Electronic and optical properties of vacancy and B, N, O and F doped graphene: DFT study

J. Beheshtian, M. Goudarzi, S. S. Parhizgar, 2019, Opto-Electronics Review.

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

Mohammad Bigdeli Tabar, Javad Beheshtian, Zargham Bagheri, 2014, Structural Chemistry.

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

J. Beheshtian, N. Hadipour, Mohammad Kamfiroozi, 2011 .

Hydrogenated Ψ-graphene as an ultraviolet optomechanical sensor

J. Beheshtian, F. Shayeganfar, A. Ahmadi, 2020, RSC advances.

The Alkali Metal Interactions with MgO Nanotubes

J. Beheshtian, A. A. Peyghan, Z. Bagheri, 2012 .

Toxic CO detection by B12N12 nanocluster

Javad Beheshtian, Zargham Bagheri, Ali Ahmadi Peyghan, 2011, Microelectron. J..

Hydrogen storage by BeO nano-cage: A DFT study

J. Beheshtian, Isa Ravaei, 2016 .

Computational study of CO and NO adsorption on magnesium oxide nanotubes

J. Beheshtian, Z. Bagheri, Mohammad Kamfiroozi, 2011 .

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

J. Beheshtian, Z. Bagheri, Mohammad Kamfiroozi, 2012 .

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

J. Beheshtian, A. A. Peyghan, Z. Bagheri, 2013 .

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

J. Beheshtian, A. A. Peyghan, Z. Bagheri, 2012 .

Application of hexa‐peri‐hexabenzocoronene nanographene and its B, N, and Bn doped forms in Na-ion batteries: A density functional theory study

J. Beheshtian, A. A. Peyghan, 2020, Thin Solid Films.

The influence of Stone-Wales defects in nanographene on the performance of Na-ion batteries.

J. Beheshtian, A. A. Peyghan, 2020, Journal of molecular graphics & modelling.

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

D. Tavakoli, J. Beheshtian, A. Tarighat, 2019 .

The electronic and optical properties of 3d transition metals doped silicene sheet: A DFT study

J. Beheshtian, S. Mansouri, Z. Hasanzadeh Tazeh Gheshlagh, 2020, Materials Research Express.

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

J. Beheshtian, M. Sabbaghan, S. M. Mirsaeidi, 2014 .

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

J. Beheshtian, A. A. Peyghan, Z. Bagheri, 2012, Journal of Molecular Modeling.

A theoretical study of CO adsorption on aluminum nitride nanotubes

J. Beheshtian, Z. Bagheri, Mohammad Kamfiroozi, 2012, Structural Chemistry.

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

J. Beheshtian, N. Hadipour, M. Esrafili, 2008, Journal of molecular graphics & modelling.

Interfacial properties of water/heavy water layer encapsulate in bilayer graphene nanochannel and nanocapacitor

J. Beheshtian, F. Shayeganfar, 2019, Journal of Materials Science: Materials in Electronics.

A computational study of water adsorption on boron nitride nanotube

J. Beheshtian, N. Hadipour, M. Esrafili, 2010 .

Theoretical investigation of C60 fullerene functionalization with tetrazine

J. Beheshtian, A. A. Peyghan, Z. Bagheri, 2012 .

B12N12 Nano-cage as Potential Sensor for NO2 Detection

J. Beheshtian, A. A. Peyghan, Z. Bagheri, 2012 .

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

J. Beheshtian, Z. Bagheri, Ali Ahmadi Peyghan, 2013, Structural Chemistry.

Electro-Optical Properties of Monolayer and Bilayer Pentagonal BN: First Principles Study

J. Beheshtian, R. Shahsavari, F. Shayeganfar, 2020, Nanomaterials.

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

J. Beheshtian, A. A. Peyghan, Z. Bagheri, 2012 .

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

J. Beheshtian, N. Hadipour, A. Ahmadi, 2011 .

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

J. Beheshtian, A. A. Peyghan, Z. Bagheri, 2013, Structural Chemistry.

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

J. Beheshtian, A. A. Peyghan, Z. Bagheri, 2013 .

Sensing behavior of Al and Si doped BC3 graphenes to formaldehyde

M. Noei, J. Beheshtian, A. A. Peyghan, 2013 .

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

J. Beheshtian, S. Jamehbozorgi, Atefe Sadat Mohamadhosein, 2018 .

Hydrogen dissociation on diene-functionalized carbon nanotubes

J. Beheshtian, Z. Bagheri, Ali Ahmadi Peyghan, 2012, Journal of Molecular Modeling.

A computational study on the BN and AlN nanocones as anode materials for K-ion batteries

J. Beheshtian, S. Mansouri, Hoda Mousavi Berenjaghi, 2021 .

Boron nitride nanochannels encapsulating a water/heavy water layer for energy applications

J. Beheshtian, R. Shahsavari, F. Shayeganfar, 2019, RSC advances.

Sensing behavior of Al-rich AlN nanotube toward hydrogen cyanide

J. Beheshtian, A. A. Peyghan, Z. Bagheri, 2013, Journal of Molecular Modeling.

Nitrate adsorption by carbon nanotubes in the vacuum and aqueous phase

J. Beheshtian, A. A. Peyghan, Z. Bagheri, 2012, Monatshefte für Chemie - Chemical Monthly.

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

J. Beheshtian, B. Sohrabi, E. Farajpour, 2016, Physical chemistry chemical physics : PCCP.

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

J. Beheshtian, Mohammad Kamfiroozi, A. Ahmadi, 2012, Journal of Molecular Modeling.

Adsorption and dissociation of Cl2 molecule on ZnO nanocluster

J. Beheshtian, A. A. Peyghan, Z. Bagheri, 2012 .

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

M. R. R. Tabar, J. Beheshtian, F. Shayeganfar, 2017 .

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

R. Yousefi, F. Jamali-Sheini, J. Beheshtian, 2018, Chemistry, an Asian journal.

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

J. Beheshtian, A. A. Peyghan, Z. Bagheri, 2012, Structural Chemistry.

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

F. Peeters, J. Beheshtian, M. Neek-Amal, 2015 .

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

J. Beheshtian, A. A. Peyghan, M. T. Baei, 2012 .

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

Nasser L. Hadipour, Javad Beheshtian, Hassan Sabzyan, 2011 .

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

J. Beheshtian, R. Shahsavari, F. Shayeganfar, 2018, Langmuir : the ACS journal of surfaces and colloids.

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

J. Beheshtian, S. S. Parhizgar, 2018, Computational Condensed Matter.

Reversible structural transition in nanoconfined ice

F. Peeters, J. Beheshtian, M. Neek-Amal, 2017 .

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

J. Beheshtian, N. Hadipour, M. Esrafili, 2009 .

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

J. Beheshtian, R. Shahsavari, F. Shayeganfar, 2018, Langmuir : the ACS journal of surfaces and colloids.

Carbon nanotube functionalization with carboxylic derivatives: a DFT study

J. Beheshtian, A. A. Peyghan, Z. Bagheri, 2012, Journal of Molecular Modeling.