2 papers
cond-mat.mes-hall2018
Unusual Bandgap Oscillations in Template-Directed π-Conjugated Porphyrin Nanotubes
Sarah I. Allec, Niranjan V. Ilawe, Bryan M. Wong
Using large-scale DFT calculations (up to 1,476 atoms and 18,432 orbitals), we present the first detailed analysis on the unusual electronic properties of recently synthesized porp…
cond-mat.mes-hall2018
Inconsistencies in the Electronic Properties of Phosphorene Nanotubes: New Insights from Large-Scale DFT Calculations
Sarah I. Allec, Bryan M. Wong
Contrary to recent reports, we show that the electronic properties of phosphorene nanotubes are surprisingly rich and much more complex than previously assumed. We find that all ph…