75 citations · 104 across the 3 of their papers we have counts for
3 papers
Structure and Electronic States of a Graphene Double Vacancy with an Embedded Si Dopant
Reed Nieman, Adélia J. A. Aquino, Trevor P. Hardcastle +3
Silicon represents a common intrinsic impurity in graphene, commonly bonding to either three or four carbon neighbors respectively in a single or double carbon vacancy. We investig…
pi-pi Stacking between Polyaromatic Hydrocarbon Sheets beyond Dispersion Interactions
Nadeesha J. Silva, Francisco B. C. Machado, Hans Lischka +1
High level ab initio calculations ranging from coupled cluster methods including explicitly correlated approaches to standard second order Møller-Plesset theory using spin scaling…
The Electronic States of a Double Carbon Vacancy Defect in Pyrene: A Model Study for Graphene
Francisco B. C. Machado, Adélia J. A. Aquino, Hans Lischka
The electronic states occurring in a double vacancy defect for graphene nanoribbons have been calculated in detail based on a pyrene model. Extended ab initio calculations using th…