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Full-Text Articles in Engineering

Modelling Catalytic Structures With Python And Ase, Tommie L. Day, Peilin Liao, Pilsun Yoo Aug 2017

Modelling Catalytic Structures With Python And Ase, Tommie L. Day, Peilin Liao, Pilsun Yoo

The Summer Undergraduate Research Fellowship (SURF) Symposium

Voltaic cells hold great potential as a source of clean electricity generation. These fuel sources are more efficient than combustion engines, and they do not produce environmentally harmful by-products. The electrochemical reaction which occurs within the cell is typically catalyzed by platinum, which increases the cost. The search for a better performing, less expensive catalyst is hindered by the lack of a complete, predictive theory of catalysis. Using Quantum Espresso and the Atomic Simulation Environment library for Python, we created a tool for nanoHUB.org which can visually and computationally model catalytic surfaces. This tool can simulate nanoparticles and metallic surfaces …


Atomistic Simulations Of Novel Nanoscale Semiconductor Devices: Resistance Switches And Two-Dimensional Transistors, Joseph P. Anderson, Mahbubul Islam, David Guzman, Alejandro Strachan Aug 2017

Atomistic Simulations Of Novel Nanoscale Semiconductor Devices: Resistance Switches And Two-Dimensional Transistors, Joseph P. Anderson, Mahbubul Islam, David Guzman, Alejandro Strachan

The Summer Undergraduate Research Fellowship (SURF) Symposium

As transistors get smaller, we are achieving record levels of memory density. However, there is a limit to how small transistors can be made before their functionality breaks down. Thus alternatives to traditional transistor technology are needed. The two such technologies we examined are: resistance switching devices, which reversibly grow metal filaments through a dielectric, and two-dimensional transistors, which are capable of breaking through the scalability limit of traditional transistors. In order to design resistance switching devices which create filaments with some level of consistency, the dynamics of the filament formation need to be explored. Herein we model this process …


Electrochemical Removal Of Lead In Water With Multi-Wall Carbon Nanotube Filters, Benjamin M. Stryker, Sol Park, Zhi Zhou Aug 2017

Electrochemical Removal Of Lead In Water With Multi-Wall Carbon Nanotube Filters, Benjamin M. Stryker, Sol Park, Zhi Zhou

The Summer Undergraduate Research Fellowship (SURF) Symposium

Heavy metals, such as lead, are highly toxic and typical removal techniques are costly for household applications; causing serious public health risks and economic burdens. Previous studies using electrochemical filtration showed that singe-wall carbon nanotube membranes (SWCNTs) were effective at removing lead, but the use of less expensive multi-walled carbon nanotubes (MWCNTs) has not been fully explored. Therefore, there is a critical need to determine if MWCNTs are cost-effective for the removal of lead in water. The removal efficiency of lead(II) ions in an aqueous solution was evaluated in a flow-through filtration system over 50 minutes at 1.5 mL/min. Calcium …