Search Results - "Majidi, R."
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Density functional theory study on structural and mechanical properties of graphene, T-graphene, and R-graphyne
Published in Theoretical chemistry accounts (01-09-2017)“…In the present work, structural and mechanical properties of T-graphene and R-graphyne were studied and compared with that of graphene. Cohesive energy,…”
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2
Band gap modulation of graphyne via chemical functionalization: a density functional theory study
Published in Canadian journal of chemistry (01-03-2016)“…The structural and electronic properties of functionalized graphyne were studied by using density functional theory. Different concentrations of CCl 2…”
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3
Adsorption of formaldehyde on graphene and graphyne
Published in Physica. E, Low-dimensional systems & nanostructures (01-05-2014)“…The adsorption of formaldehyde on graphene and graphyne was investigated to search high sensitivity sensors for detection of formaldehyde. We have used density…”
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4
Exploring the potential of graphene oxide frameworks as anode materials for Na-ion batteries applications: a density functional theory study
Published in Applied physics. A, Materials science & processing (01-05-2024)“…This study explores the potential applications of graphene oxide frameworks (GOFs) in Na-ion batteries using density functional theory calculations. The GOF's…”
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Detection of NOx and COx (x = 1, 2) molecules with T4,4,4-graphyne: a density functional theory study
Published in Molecular simulation (21-11-2020)“…ABSTRACTAdsorption of NOx and COx (x = 1, 2) molecules on T4,4,4-graphyne sheet is studied using density functional theory. The most stable adsorption…”
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6
Tuning the electronic properties of reduced bilayer graphene oxide: controllable flat bands and improved conductivity
Published in Physica scripta (01-08-2024)“…Going beyond conventional doping techniques, this work explores the interesting phenomenon of flat bands in single and double layer graphene induced by…”
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Electronic properties of B- and N-doped graphyne nanotubes
Published in Computational materials science (01-02-2015)“…[Display omitted] •Carbon nanotube based on α-graphyne (GNT) is considered.•Effect of doping on electronic property of GNTs is studied.•B-doped GNTs are p-type…”
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8
Investigation of inhibition effect of some amino acids against steel corrosion in HCl solution
Published in Applied surface science (30-03-2004)“…The inhibition effect of three amino acids against steel corrosion in HCl solutions has been investigated by potentiodynamic polarization method. Corrosion…”
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Mesenchymal Cell‐Derived Juxtacrine Wnt1 Signaling Regulates Osteoblast Activity and Osteoclast Differentiation
Published in Journal of bone and mineral research (01-06-2019)“…ABSTRACT Human genetic evidence demonstrates that WNT1 mutations cause osteogenesis imperfecta (OI) and early‐onset osteoporosis, implicating WNT1 as a major…”
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10
Novel results on entropy-based measures of fullerenes
Published in Fullerenes, nanotubes, and carbon nanostructures (01-02-2021)“…Fullerenes are cubic polyhedral molecules made of carbon atoms. They have attracted much attention in the chemical and the mathematical literature. In the…”
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Association of diverse bacterial communities in human bile samples with biliary tract disorders: a survey using culture and polymerase chain reaction-denaturing gradient gel electrophoresis methods
Published in European journal of clinical microbiology & infectious diseases (01-08-2016)“…Bacterial infection is considered a predisposing factor for disorders of the biliary tract. This study aimed to determine the diversity of bacterial…”
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12
Detection of hydrogen peroxide with graphyne
Published in Physica. E, Low-dimensional systems & nanostructures (01-12-2013)“…The effect of hydrogen peroxide on the electronic properties of graphyne has been investigated to explore the possibility of using graphyne based biosensor. We…”
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13
Electronic properties of BN-doped bilayer graphene and graphyne in the presence of electric field
Published in Molecular physics (30-11-2013)“…In the present paper, we have used density functional theory to study electronic properties of bilayer graphene and graphyne doped with B and N impurities in…”
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14
Molecular Dynamics Simulation Evaluating the Hydrophilicity of Nanowollastonite on Cellulose
Published in Journal of structural chemistry (01-09-2019)“…To clarify the effect of nanowollastonite on the hydrophilicity of wood and wood-composite, water adsorption on the cellulose surface in the presence of…”
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15
Reaction and nucleation mechanisms of copper electrodeposition on disposable pencil graphite electrode
Published in Electrochimica acta (2009)“…The reaction and nucleation mechanism of copper electrodeposition on disposable pencil graphite electrode (PGE) in acidic sulphate solution were investigated…”
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Optimising effective parameters to improve performance quality in lateral flow immunoassay for detection of PBP2a in methicillin-resistant Staphylococcus aureus (MRSA)
Published in Journal of experimental nanoscience (01-01-2020)“…Lateral flow immunoassay (LFIA) is the most widely used platform of the point-of-care (POC) detection. Since the most important factor in deciding the results…”
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17
Nitrotyrosine adsorption on carbon nanotube: a density functional theory study
Published in Indian journal of physics (01-05-2014)“…We have studied the effect of nitrotyrosine on electronic properties of different single-wall carbon nanotubes by density functional theory. Optimal adsorption…”
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A sunlight-induced method for rapid biosynthesis of silver nanoparticles using an Andrachnea chordifolia ethanol extract
Published in Applied physics. A, Materials science & processing (01-05-2011)“…In this study a sunlight-induced method for rapid synthesis of silver nanoparticles using an ethanol extract of Andrachnea chordifolia is described. The silver…”
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Encapsulation of magnetic nanoparticles with polystyrene via emulsifier-free miniemulsion polymerization
Published in Thin solid films (25-09-2006)“…Magnetite nanoparticles (Fe 3O 4), with an average size of about 10 nm, were encapsulated with polystyrene using a new method based on emulsifier-free…”
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Journal Article Conference Proceeding -
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Band gap opening in α-graphyne by adsorption of organic molecule
Published in Physica. E, Low-dimensional systems & nanostructures (01-09-2014)“…The lack of a band gap limits the application of graphyne in nanoelectronic devices. We have investigated possibility of opening a band gap in α-graphyne by…”
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