Linear discrete breather in fcc metals
Sign Up to like & getrecommendations! Published in 2019 at "Computational Materials Science"
DOI: 10.1016/j.commatsci.2019.01.014
Abstract: Abstract Nonlinear vibrational mode localized in two spatial dimensions and delocalized in the third dimension is studied for the first time in defect-free single crystals of fcc metals (Al, Cu and Ni) using molecular-dynamics methods.… read more here.
Keywords: discrete breather; chain; linear discrete; fcc metals ... See more keywords
Sharp Negative Differential Resistance from Vibrational Mode Softening in Molecular Junctions.
Sign Up to like & getrecommendations! Published in 2020 at "Nano letters"
DOI: 10.1021/acs.nanolett.0c02230
Abstract: We unravel the critical role of vibrational mode softening in single-molecule electronic devices at high bias. Our theoretical analysis is carried out with a minimal model for molecular junctions, with mode softening arising due to… read more here.
Keywords: sharp negative; vibrational mode; mode softening; negative differential ... See more keywords
A Universal Length-Dependent Vibrational Mode in Graphene Nanoribbons.
Sign Up to like & getrecommendations! Published in 2019 at "ACS nano"
DOI: 10.1021/acsnano.9b05817
Abstract: Graphene nanoribbons (GNRs) have attracted considerable interest as their atomically tunable structure makes them promising candidates for future electronic devices. However, obtaining detailed information about the length of GNRs has been challenging and typically relies… read more here.
Keywords: graphene nanoribbons; vibrational mode; length dependent; microscopy ... See more keywords
On the method of photoconductive detection of defects in semiconductors by vibrational mode-related Fano resonances
Sign Up to like & getrecommendations! Published in 2018 at "Journal of Applied Physics"
DOI: 10.1063/1.5037412
Abstract: The method of photoconductive detection of defect-related vibrational modes in semiconductors by Fano resonances is validated by a combined photoconductivity and infrared absorption study of the interstitial hydrogen donor in ZnO. Depth-resolved isotopic substitution experiments… read more here.
Keywords: method photoconductive; photoconductive detection; vibrational mode; mode related ... See more keywords
Quantum Mechanical Assessment of Protein–Ligand Hydrogen Bond Strength Patterns: Insights from Semiempirical Tight-Binding and Local Vibrational Mode Theory
Sign Up to like & getrecommendations! Published in 2023 at "International Journal of Molecular Sciences"
DOI: 10.3390/ijms24076311
Abstract: Hydrogen bonds (HB)s are the most abundant motifs in biological systems. They play a key role in determining protein–ligand binding affinity and selectivity. We designed two pharmaceutically beneficial HB databases, database A including ca. 12,000… read more here.
Keywords: local vibrational; hbs; ligand; vibrational mode ... See more keywords