Ab initio vibrational and thermal properties of carbon allotropes: Polycyclic and rectangular networks

Electronic and thermal conduction properties of halogenated porous graphene nanoribbons

“…The decrease of the scaled thermal conductance is qualitatively similar with the one obtained in the case of two dimensional polycyclic carbon networks [17]. The thermal conductance is also lower than for the pristine zig-zag graphene nanoribbons passivated with hydrogen [41,17].…”

“…The thermal conductance is also lower than for the pristine zig-zag graphene nanoribbons passivated with hydrogen [41,17]. Similar phonon transmission spectra, with pseudo-gaps present at low frequencies, were obtained by nano-structuring the graphene nanoribbons with periodic patterns [42].…”

“…Of interest for the thermal conductance are the presence of pseudo-gaps located in the lower part of the spec- trum, which corresponds to relatively low thermal conductivity around the room temperature. The origin of the pseudo-gaps is related to the periodic distribution of pores, in contrast to pristine graphene nanoribbons [17]. Their position is shifted towards lower energies following the change from F to I.…”

“…Other approaches include defect engineering [11], edge passivation [12] and more recently nanopore patterning [11,13,14,15,16]. In addition, two-dimensional carbon allotropes [17] may provide alternative routes to graphene.…”

Ab Initio Investigations of Thermoelectric Effects in Graphene – Boron Nitride Nanoribbons

“…Nanoribbons of different shapes [4], single molecule and quantum-dot nanojunctions [5], nanomeshes [6] to reduce the thermal conductivity. Furthermore, graphene allotropes [7][8][9] and hybrid graphenehexagonal boron nitride (hBN) structures may provide alternative routes. It was recently demonstrated that atomic sized mixtures of graphene and hBN can be fabricated [10][11][12].…”