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Skip to Search Results- 1Aguirre Monroy, Angelica M
- 1Alam, Kazi, MM
- 1Ayoub, Ahmed T
- 1Baleja, James D.
- 1Bandarage, Gunadya.
- 1Booker, Brandon K.
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Fall 2015
Solar energy holds great potential in securing humanity’s energy future in a sustainable manner. Unfortunately, the costs of silicon photovoltaics continue to impede the use of solar energy. Polymer solar cells (PSCs) can make solar energy more affordable due to their lower production costs....
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On the atomistic simulation approach towards the estimation of the polymer/solvent mutual diffusion coefficient
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With increasing computational power, the multi scale simulation of materials is getting more possible. To show the ability of this method to address macro scale problems, in this work, the problem of polymer/solvent mutual diffusion was selected based on its scientific and industrial...
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On the Atomistic Simulation Approach Towards the Structural Stability of the ZnS Nanoparticles
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Recently, ZnS quantum dots have attracted a lot of attention since they can be a suitable alternative for cadmium-based quantum dots, which are known to be highly carcinogenic for living systems. Suitable optoelectronic properties and non-toxic nature of ZnS quantum dots capacitate exiting...
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Spring 2022
The DNA damage response (DDR) is critical for maintaining genomic integrity and prevention of genotoxic consequences leading to carcinogenesis. The DDR signaling cascade results either in the activation of the repair pathway, or initiation of apoptosis if the repair is not possible. Many...
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Fall 2014
Electrons, the fundamental charge carriers in solid-state devices, possess three intrinsic properties: mass, charge and spin. Spin is a quantum mechanical property, but can be loosely visualized as a tiny “intrinsic” magnetic dipole moment attached to an electron. In conventional electron...
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Study of the Thermal Stability of Hydrotalcite and Carbon Dioxide Capture Capacity of Hydrotalcite-derived Mixed Oxides using Molecular Dynamics Simulation
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Hydrotalcites (HTlcs) or layered double hydroxides (LDHs) are used in a wide range of applications such as catalysis, electrochemical sensors, wastewater treatment and carbon dioxide (CO2) capture. In this study, molecular dynamics simulation was employed to investigate carbon dioxide adsorption...
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Fall 2014
The assembly of nanoparticle building blocks into more complex nanostructures has important applications in analytical chemistry, materials science, medical science, optics, and electronics. Due to its exquisite specificity and programmable nature, DNA has emerged as a very promising biomolecule...
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The effects of annealing treatment on mechanical properties of nanocrystalline α-iron: an atomistic study
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Nanocrystalline metallic materials demonstrate superior mechanical, optical, and electric properties. Claims are often found in the literature that metallic materials can be nanocrystallized by severe plastic deformation (SPD). However, SPD does not generate a well-defined nanocrystalline...
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The Influence of Specific Ions and System Architecture on the Recognition and Reactivity of Two Charged Materials: DNA-Modified Gold Nanoparticle Aggregates and Planar Silica
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DNA functionalized gold nanoparticles (GNP–DNA) offer simple colorimetric nucleic acid sensing with high selectivity and sensitivity. Consequently, they are promising in genetic profiling, disease diagnostics, and forensic applications. In the presence of a target nucleic acid, GNP–DNA forms...