The structure of active sites in Fe-based nonprecious metal oxygen reduction reaction catalysts remains unknown, limiting the ability to follow a rational design paradigm for catalyst improvement. Previous studies indicate that N-coordinated Fe defects at graphene edges are the most stable such sites. Density functional theory is used for determination of stable potential oxygen reduction react...

We review recent studies of coherent phonons (CPs) corresponding to the radial breathing mode (RBM) and G-mode in single-wall carbon nanotubes (SWCNTs) and graphene. Because of the bandgap-diameter relationship, RBM-CPs cause bandgap oscillations in SWCNTs, modulating interband transitions at terahertz frequencies. Interband resonances enhance CP signals, allowing for chirality determination. U...

We characterize the influence of graphene nanoribbon plasmon excitation on the vibrational spectra of surface-absorbed polymers. As the detuning between the graphene plasmon frequency and a vibrational frequency of the polymer decreases, the vibrational peak intensity first increases and is then transformed into a region of narrow optical transparency as the frequencies overlap. Examples of thi...

Recent experimental evidence for and the theoretical confirmation of tunable edge plasmons and surface plasmons in graphene nanoribbons have opened up new opportunities to scrutinize the main geometric and conformation factors, which can be used to modulate these collective modes in the infrared-to-terahertz frequency band. Here, we show how the extrinsic plasmon structure of regular planar arr...

Graphene can be transformed from a semimetal into a semiconductor if it is confined into nanoribbons narrower than 10 nm with controlled crystallographic orientation and well-defined armchair edges. However, the scalable synthesis of nanoribbons with this precision directly on insulating or semiconducting substrates has not been possible. Here we demonstrate the synthesis of graphene nanoribbon...

We study Andreev reflection in graphene nanoribbon/superconductor hybrid junctions. By using a tightbinding approach and the scattering formalism we show that finite-size effects lead to notable differences with respect to the bulk-graphene case. At subgap voltages, conservation of pseudoparity, a quantum number characterizing the ribbon states, yields either a suppression of Andreev reflection...

We studied the Klein paradox in zigzag (ZNR) and anti-zigzag (AZNR) graphene nanoribbons. Due to the fact that ZNR (the number of lattice sites across the nanoribbon = N is even) and AZNR (N is odd) configurations are indistinguishable when treated by the Dirac equation, we supplemented the model with a pseudo-parity operator whose eigenvalues correctly depend on the sublattice wavefunctions fo...