119 citations · 1.1k across the 41 of their papers we have counts for
3 papers · 2 filters
Computational design of chemical nanosensors: Transition metal doped single-walled carbon nanotubes
Duncan J. Mowbray, Juan María García-Lastra, Iker Larraza Arocena +3
We present a general approach to the computational design of nanostructured chemical sensors. The scheme is based on identification and calculation of microscopic descriptors (desi…
Tuning MgB_2(0001) surface states
V. Despoja, D. J. Mowbray, V. M. Silkin
Surface state localization and hybridization on B, Mg, and Li terminated MgB_2(0001) surfaces are studied within density functional theory (DFT). For the B terminated surface we fi…
Theoretical spectroscopy techniques applied to graphene EELS and optics
D. J. Mowbray, P. Ayala, V. Despoja +2
A thorough understanding of the electronic structure is a necessary first step for the design of nanoelectronics, chemical/bio-sensors, electrocatalysts, and nanoplasmonics using g…