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Information Journal Paper

Title

ADSORPTION OF PARATHION AND CHLORPYRIFOS ORGANOPHOSPHOROS PESTICIDES WITH THE IRON DOPED BORON NITRIDE NANOTUBES; A THEORETICAL STUDY

Pages

  215-232

Abstract

 In this work, the interaction of two organophosphates, PARATHION and CHLORPYRIFOS, with armchair and zigzag BORON NITRIDE NANOTUBEs and their Fe doped derivatives in gaseous and aqueous phases was studied using the computational and conceptual density functional theory method. According to importance of VAN DER WAALS INTERACTIONs for adsorbing PARATHION and CHLORPYRIFOS on surface of mentioned BORON NITRIDE NANOTUBEs, dispersion correction is performed by Grimme method as well as overlapping energy calculation. The results show that, the contribution of VAN DER WAALS INTERACTION in adsorption energy is significantly large. Furthermore, it is turned out that doped nanotube derivatives compared to pristine nanotubes, especially armchair form nanotubes, make stronger adsorption. Also, if iron atom is located instead of nitrogen atom in doped nanotubes, the capability of nanotubes increases for adsorbing PARATHION and CHLORPYRIFOS.

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    APA: Copy

    Farmanzadeh, Davood, & REZAEINEJAD, HAMID. (2017). ADSORPTION OF PARATHION AND CHLORPYRIFOS ORGANOPHOSPHOROS PESTICIDES WITH THE IRON DOPED BORON NITRIDE NANOTUBES; A THEORETICAL STUDY. JOURNAL OF APPLIED CHEMISTRY, 12(44), 215-232. SID. https://sid.ir/paper/243349/en

    Vancouver: Copy

    Farmanzadeh Davood, REZAEINEJAD HAMID. ADSORPTION OF PARATHION AND CHLORPYRIFOS ORGANOPHOSPHOROS PESTICIDES WITH THE IRON DOPED BORON NITRIDE NANOTUBES; A THEORETICAL STUDY. JOURNAL OF APPLIED CHEMISTRY[Internet]. 2017;12(44):215-232. Available from: https://sid.ir/paper/243349/en

    IEEE: Copy

    Davood Farmanzadeh, and HAMID REZAEINEJAD, “ADSORPTION OF PARATHION AND CHLORPYRIFOS ORGANOPHOSPHOROS PESTICIDES WITH THE IRON DOPED BORON NITRIDE NANOTUBES; A THEORETICAL STUDY,” JOURNAL OF APPLIED CHEMISTRY, vol. 12, no. 44, pp. 215–232, 2017, [Online]. Available: https://sid.ir/paper/243349/en

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