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Search Publications by: Maicol A. Ochoa (Assoc)

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Displaying 1 - 6 of 6

Single-electron states of phosphorus-atom arrays in silicon

May 8, 2024
Author(s)
Maicol Ochoa, Keyi Liu, Michal Zielinski, Garnett W. Bryant
We characterize the single-electron energies and the wavefunction structure of arrays with two, three, and four phosphorus atoms in silicon by implementing atomistic tight-binding calculations and analyzing wavefunction overlaps to identify the single

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