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Theoretical study of the electron transport through the cysteine amino acid nanomolecular wire
, Article International Journal of Nanoscience ; Volume 7, Issue 2-3 , 2008 , Pages 95-102 ; 0219581X (ISSN) ; Aghaie, H ; Gholami, M. R ; Sharif University of Technology
World Scientific Publishing Co. Pte Ltd
2008
Abstract
In this paper, we study the electrical transport and Negative Differential Resistance (NDR) in a single molecular conductor consisting of a cysteine sandwiched between two Au(111) electrodes via the Density Functional Theory-based Nonequilibrium Green's Function (DFT-NEGF) method. We show that (surprisingly, despite their apparent simplicity, these Au/cysteine/Au nanowires are shown to be a convenient NDR device) the smallest two-terminal molecular wire can exhibit NDR behavior to date. Experiments with a conventional or novel self-assembled monolayer (SAM) are proposed to test these predictions. The projected density of states (PDOSs) and transmission coefficients T(E) under various...
Theoretical study of the electron transport through the cysteine amino acid nanomolecular wire
, Article International Journal of Nanoscience ; Volume 07, Issue 02, n 03 , April & June , 2008 , pp. 95-102 ; Aghaie, H ; Gholami, M. R.(Mohammad Reza) ; Sharif University of Technology
Abstract
In this paper, we study the electrical transport and Negative Differential Resistance (NDR) in a single molecular conductor consisting of a cysteine sandwiched between two Au(111) electrodes via the Density Functional Theory-based Nonequilibrium Green's Function (DFT-NEGF) method. We show that (surprisingly, despite their apparent simplicity, these Au/cysteine/Au nanowires are shown to be a convenient NDR device) the smallest two-terminal molecular wire can exhibit NDR behavior to date. Experiments with a conventional or novel self-assembled monolayer (SAM) are proposed to test these predictions. The projected density of states (PDOSs) and transmission coefficients T(E) under various...
Removal of methylene blue dye from aqueous solutions using carboxymethyl-β-Cyclodextrin-Fe3O4 nanocomposite: Thermodynamics and kinetics of adsorption process
, Article Russian Journal of Physical Chemistry A ; Volume 96, Issue 2 , 2022 , Pages 371-380 ; 00360244 (ISSN) ; Aghaie, H ; Monajjemi, M ; Gholami, M. R ; Sharif University of Technology
Pleiades journals
2022
Abstract
Abstract: The applicability of the synthesized carboxymethyl-β-cyclodextrin-Fe3O4 nanocomposite (CM‑β-CD-Fe3O4NPs) as a novel adsorbent for eliminating Methylene blue dye (MB) from aqueous media was investigated. Various techniques including Brunauer Emmett Teller analysis (BET), Fourier transform infrared spectroscopy (FT-IR), X-ray diffraction (XRD), scanning electron microscopy (SEM), and transmission electron microscopy (TEM) have been used to characterize this novel adsorbent. The effect of initial concentration (C0), pH, adsorbent dosage (dose), contact time (tc), and temperature (T, K) on the removal percentage (Ad%) of MB dye onto CM-β-CD-Fe3O4NPs was studied, and the optimum value...