Electronic and Magnetic Properties of Small Nickel Clusters Nin (n ≤ 15): First Principle Study
Sign Up to like & getrecommendations! Published in 2024 at "International Journal of Quantum Chemistry"
DOI: 10.1002/qua.70007
Abstract: Theoretical study on the structure and electronic properties of small Nin (n ≤ 15) clusters has been carried out in the framework of density functional theory. The equilibrium geometries, the bond length, average binding energy, and magnetic… read more here.
Keywords: electronic magnetic; properties small; small nickel; study ... See more keywords
Structure and Optical Properties of Small (TiO2)n Nanoparticles, n = 21–24
Sign Up to like & getrecommendations! Published in 2017 at "Journal of Physical Chemistry C"
DOI: 10.1021/acs.jpcc.6b11461
Abstract: Recently, nanostructured TiO2 (“black TiO2”) has been discovered to absorb visible light, which makes it an efficient material for water splitting. Hydrogenization has been proposed to be at the origin of this beneficial electronic structure… read more here.
Keywords: properties small; optical properties; small tio2; structure optical ... See more keywords
Exploring the Adsorption Properties of Small Molecules on CeZr-Based Nanoclusters
Sign Up to like & getrecommendations! Published in 2025 at "ACS Omega"
DOI: 10.1021/acsomega.5c05036
Abstract: An atomistic understanding of the interactions between the molecules and surfaces is crucial to optimize the catalytic performance in heterogeneous systems. In this investigation, calculations based on density functional theory are used to characterize the… read more here.
Keywords: exploring adsorption; h2o so2; adsorption; adsorption properties ... See more keywords
Properties of g →b b at small opening angles in pp collisions with the ATLAS detector at s =13 TeV
Sign Up to like & getrecommendations! Published in 2019 at "Physical Review D"
DOI: 10.1103/physrevd.99.052004
Abstract: The fragmentation of high-energy gluons at small opening angles is largely unconstrained by present measurements. Gluon splitting to b-quark pairs is a unique probe into the properties of gluon fragmentation because identified b-tagged jets provide… read more here.
Keywords: angles collisions; properties small; opening angles; collisions atlas ... See more keywords
Mechanical Properties of Small Quasi-Square Graphene Nanoflakes
Sign Up to like & getrecommendations! Published in 2024 at "Crystals"
DOI: 10.3390/cryst14040314
Abstract: The rise of straintronics—the possibility of fine-tuning the electronic properties of nanosystems by applying strain to them—has enhanced the interest in characterizing the mechanical properties of these systems when they are subjected to tensile (or… read more here.
Keywords: mechanical properties; graphene nanoflakes; small quasi; quasi square ... See more keywords
Antibacterial Properties of Small-Size Peptide Derived from Penetratin against Oral Streptococci
Sign Up to like & getrecommendations! Published in 2021 at "Materials"
DOI: 10.3390/ma14112730
Abstract: Periodontitis, an infectious disease originating from dental biofilms that causes the irreversible loss of alveolar bone, is accompanied by gradual biofilm formation and the continuous progression of inflammation. A small peptide derived from penetratin, Arg-Gln-Ile-Arg-Arg-Trp-Trp-Gln-Arg-NH2… read more here.
Keywords: antibacterial properties; properties small; peptide derived; arg ... See more keywords