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Search Publications by: Maicol A. Ochoa (Assoc)

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Displaying 1 - 5 of 5

Metal adsorbate interactions and the convergence of density functional calculations

February 10, 2020
Author(s)
Christoph Rohmann, Maicol A. Ochoa, Michael P. Zwolak
The adsorption of metal atoms on nanostructures, such as graphene and nanotubes, plays an important role in catalysis, electronic doping, and tuning material properties. Quantum chemical calculations permit the investigation of this process to discover

Optimal in situ electromechanical sensing of molecular species

January 21, 2020
Author(s)
Maicol A. Ochoa, Michael P. Zwolak
We investigate protocols for optimal molecular detection with electromechanical nanoscale sensors in ambient conditions. Our models are representative of suspended graphene nanoribbons, which due to their piezoelectric and electronic properties, provide