106 citations
3 papers
cond-mat.mes-hall2021★ 8 cited
Enhancing the sensitivity and selectivity of pyrene-based sensors for detection of small gaseous molecules via destructive quantum interference
O. Sengul, J. Völkle, A. Valli +1
Graphene-based sensors are exceptionally sensitive with high carrier mobility and low intrinsic noise, and have been intensively investigated in the past decade. The detection of i…
cond-mat.mtrl-sci2017★ 106 cited
Atomic adsorption on graphene with a single vacancy: systematic DFT study through the Periodic Table of Elements
Igor A. Pašti, Aleksandar Jovanović, Ana S. Dobrota +3
Vacancies in graphene present sites of altered chemical reactivity and open possibilities to tune graphene properties by defect engineering. The understanding of chemical reactivit…
cond-mat.mtrl-sci2017★ 84 cited
Atomic adsorption on pristine graphene along the Periodic Table of Elements - From PBE to non-local functionals
Igor A. Pašti, Aleksandar Jovanović, Ana S. Dobrota +3
The understanding of atomic adsorption on graphene is of high importance for many advanced technologies. Here we present a complete database of the atomic adsorption energies for t…