Thermal properties Ao et al. [74] used the density functional CYC202 in vivo theory to investigate the thermal stability of graphene/graphane nanoribbons (GGNRs). They found that the energy barriers for the diffusion of hydrogen atoms on the zigzag and armchair interfaces of GGNRs were 2.86 and 3.17 eV, respectively, while the diffusion barrier of an isolated H atom on pristine graphene was only approximately 0.3 eV. These results unambiguously demonstrated that the thermal stability of GGNRs

could be enhanced significantly by increasing the hydrogen diffusion barriers through graphene/graphane interface engineering. Similarly, Costamagna et al. [75] used large scale atomistic simulations to study the thermal fluctuations of graphane. Rajabpour et al. [76] used nonequilibrium molecular dynamics https://www.selleckchem.com/products/lb-100.html simulations to investigate the thermal conductivity of hybrid graphene-graphane nanoribbons. Neek-Amal and Peeters [77] used atomistic simulations to determine the roughness and the thermal properties of a suspended

graphane sheet. Compared with graphene, graphane had a larger thermal contraction, a wide range corresponding to length scales in the range 30 to 125 Ǻ at room temperature. The estimated heat capacity was 29.32 ± 0.23 J/mol . K which was 14.8% larger than the one for graphene. In addition, graphane or graphane-like structures have magnetic properties and thermal performance. Neek-Amal and Peeters [78] investigated Pomalidomide the lattice thermal properties of graphane, including thermal contraction, roughness, and heat capacity. selleck products Results showed

that the roughness, amplitude, and wave lengths of the ripples were very different. The thermal contraction effect of graphane is larger than for graphene. Above 1,500 K, graphane is buckled and starts to lose H atoms at the edges of the membrane. Roughness of graphane is larger than that of graphene and the roughness exponent in graphene decreases versus temperature (from 1.2 to 1.0), while for graphane, it stays around 1.0 implying random uncorrelated roughness. Heat capacity of graphane is found to be 14.8%, which is larger than that of graphene. Optical properties In Universal optical properties of graphane nanoribbons: A first-principles study by Yang et al. [78], the results indicated that the optical properties of graphane nanoribbons were independent of their edge shapes and widths. Their unique optical properties make graphane nanoribbons suitable for various applications in nanoscale optical and optoelectronic devices. Electronic properties León and Pacheco [80] studied on the electronic and dynamical properties of a molecular wire consisting of molecules with structures of graphane and a graphane nanoribbon. Bubin and Varga [81] had discussed the response of graphene and graphane fragments to strong femtosecond laser pulses and the results showed that the hydrogenation was controllable by strong femtosecond laser pulses.