Browsing by Author "Gürel, H. H."
Now showing items 1-6 of 6
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Effects of charging and electric field on graphene functionalized with titanium
(Institute of Physics Publishing, 2013)Titanium atoms are adsorbed to graphene with a significant binding energy and render diverse functionalities to it. Carrying out first-principles calculations, we investigated the effects of charging and static electric ... -
Effects of charging and electric field on graphene oxide
(American Chemical Society, 2013)We present a first-principles study of various effects of charging and electric field on the oxidation/deoxidation of graphene oxide consisting of only epoxy groups. We first determined the proper basis set, which hinders ... -
Effects of charging and perpendicular electric field on the properties of silicene and germanene
(Institute of Physics Publishing, 2013)Using first-principles density functional theory calculations, we showed that electronic and magnetic properties of bare and Ti adatom adsorbed single-layer silicene and germanene, which are charged or subjected to a ... -
Enhanced reduction of graphene oxide by means of charging and electric fields applied to hydroxyl groups
(Institute of Physics Publishing, 2013)We present a first-principles study of the effects of charging and perpendicular electric fields on hydroxyl groups, both of which mediate the reduction of graphene oxide through the formation of H2O and H 2O2. Starting ... -
Temperature, strain and charge mediated multiple and dynamical phase changes of selenium and tellurium
(Royal Society of Chemistry, 2020)Semiconducting selenium and tellurium in their 3D bulk trigonal structures consist of parallel and weakly interacting helical chains of atoms and display a number of peculiarities. We predict that thermal excitations, 2D ... -
Tunable dynamics of a flake on graphene: libration frequency
(American Physical Society, 2017-03)In this paper we investigated the interaction between a graphene nanoflake anchored to the 2D graphene monolayer. This interaction is attractive but weak and is capable of setting a well defined registry in equilibrium. ...
