Icell M. Sharafeldin
American University
Transition metalMolecular orbitalAdsorptionDensity functional theoryChemical physicsNanotechnologyBand gapAtomic orbitalDopantMaterials scienceAnataseAb initioMoleculeField (computer science)Computer scienceChemical engineeringNanoindentationCarbon nanotubeMetalDoping
10Publications
5H-index
76Citations
Publications 10
Newest
#1Icell Sharafeldin (AU: American University)
#1Icell M. Sharafeldin (AU: American University)H-Index: 5
Last. Nageh K. Allam (AU: American University)
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Abstract Herein, we report a toxic gas detector based on an array of metal-decorated multiwalled carbon nanotubes (M-MWCNTs) sensors. The room temperature (20 °C) response of the sensors array towards NO2, H2S, NH3, and CO gases was investigated. The MWCNTs were decorated with transition metals, Pt, Ti, Ag, Ru, and Cu to enhance the sensitivity and selectivity of the carbon nanotubes to the toxic gases. The M-MWCNTs powders were deposited on gold electrodes and printed on flexible Kapton sheets ...
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#1Sarah A. Tolba (The: American University in Cairo)H-Index: 5
#2Icell M. Sharafeldin (The: American University in Cairo)H-Index: 5
Last. Nageh K. Allam (The: American University in Cairo)H-Index: 36
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Abstract Doping is an effective way to engineer the electronic band structure of semiconductor materials and consequently their photocatalytic activity for hydrogen generation. In this work, periodic Density Functional Theory (DFT) was employed to compare the adsorption of H2S and H2O molecules on TiO2(101) anatase surfaces compared to four transition metal-doped TiO2(101) anatase surfaces; Cr4+-TiO2, V4+-TiO2, Mn4+-TiO2, and Nb4+-TiO2. The defect formation energy, molecular adsorption energy, h...
4 CitationsSource
#1Walaa A. Abbas (The: American University in Cairo)H-Index: 4
#2Icell M. Sharafeldin (The: American University in Cairo)H-Index: 5
Last. Nageh K. Allam (The: American University in Cairo)H-Index: 36
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Electrospun nanofibrous materials serve as potential solutions for several biomedical applications as they possess the ability of mimicking the extracellular matrix (ECM) of tissues. Herein, we report on the fabrication of novel nanostructured composite materials for potential use in biomedical applications that require a suitable environment for cellular viability. Anodized TiO2 nanotubes (TiO2 NTs) in powder form, with different concentrations, were incorporated as a filler material into a ble...
3 CitationsSource
#1Alaa M. Soliman (The: American University in Cairo)H-Index: 2
#2Sarah A. Tolba (The: American University in Cairo)H-Index: 5
Last. Nageh K. Allam (The: American University in Cairo)H-Index: 36
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Abstract Stents used for cardiovascular applications are composed of three main elements; a metal, polymer coating and the specific drug component. Nickel-based metals and polymer coatings currently used in the stent market have increased the recurrence of in-stent restenosis and stent failure due to inflammation. In this study, a Ti-8Mn alloy was used to fabricate a nanostructured surface that can be used for drug eluting stents to overcome the hypersensitivity of metals that are currently used...
4 CitationsSource
#1Kareem M. Gameel (The: American University in Cairo)H-Index: 4
#2Icell M. Sharafeldin (The: American University in Cairo)H-Index: 5
Last. Nageh K. Allam (The: American University in Cairo)H-Index: 36
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A comprehensive analysis of low coverage CO adsorption on Ni and Cu low-index miller surfaces – (100), (110), and (111) – over all the possible adsorption sites is presented. Systems are theoretically studied within an accurate adsorption model using RPBE density functional calculations to obtain electronic and geometrical structure predictions along with their corresponding adsorption energy computations. Based on the surface- and site-dependent comparisons of the adsorption mechanisms, we were...
7 CitationsSource
#1Icell M. Sharafeldin (The: American University in Cairo)H-Index: 5
#2Jessica E. Fitzgerald (NU: Northeastern University)H-Index: 4
Last. Nageh K. Allam (The: American University in Cairo)H-Index: 36
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: Computational modeling has become an important tool for scientists to both predict the properties of materials and systems and to gain a better understanding of the underlying mechanisms. This chapter is a brief yet holistic introduction to computational modeling, focusing on density functional theoretical (DFT) methods. The different types of computational modeling methods, including molecular mechanics, semiempirical, and ab initio methods, as well as the different software available for com...
1 CitationsSource
#1Kareem M. Gameel (The: American University in Cairo)H-Index: 4
#2Icell M. Sharafeldin (The: American University in Cairo)H-Index: 5
Last. Nageh K. Allam (The: American University in Cairo)H-Index: 36
view all 5 authors...
CO adsorption on Cu(100), (110), and (111) surfaces has been extensively studied using Kohn–Sham density functional theory calculations. A holistic analysis of adsorption energies, charge transfer, and structural changes has been employed to highlight the variations in adsorption mechanisms upon changing the surface type and the adsorption site. Each surface, with its unique arrangement of atoms, resulted in a varying adsorbate behavior, although the same adsorption site is considered. This dire...
12 CitationsSource
#1Icell M. Sharafeldin (The: American University in Cairo)H-Index: 5
#2Nageh K. Allam (The: American University in Cairo)H-Index: 36
The gas sensing process involves complicated and precise adsorption mechanisms, and the selection of the right material is mainly based on “guess-and-check” procedures, which necessitates the search for a more systematic approach to discover optimum materials with required specifications. Herein, we report the use of ab initio first-principles methods to expedite the process of finding the material with the highest potential compared to in-lab trial and error. We focused on the NO2 adsorption me...
14 CitationsSource
#1Mrinal Musib (NUS: National University of Singapore)H-Index: 5
#2Feng WangH-Index: 17
Last. Icell M. Sharafeldin (The: American University in Cairo)H-Index: 5
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We asked young scientists to describe an example of artificial intelligence or machine learning in research, its broader implications in the field, and the challenges scientists face when using such technologies. Our survey's responses reflected a variety of countries and fields, but only 6% came
18 CitationsSource