Related Experiment Video
Updated: Jan 20, 2026
Transition Metals: Electron Configurations and Properties
Theoretical Insights into 1D Transition-Metal Nanoalloys Grown on the NiAl(110) Surface
Bruno Fedosse Zornio1, Edison Zacarias da Silva2, Miguel Angel San-Miguel1
1Department of Physical Chemistry, Institute of Chemistry (IQ), University of Campinas (UNICAMP), 13084-862 Campinas, São Paulo, Brazil.
Abstract:
Metallic nanoalloys are essential because of the synergistic effects rather than the merely additive effects of the metal components. Nanoscience is currently able to produce one-atom-thick linear atomic chains (LACs), and the NiAl(110) surface is a well-tested template used to build them. We report the first study based on ab initio density functional theory methods of one-dimensional transition-metal (TM) nanoalloys (i.e., LACs) grown on the NiAl(110) surface. This is a comprehensive and detailed computational study of the effect of alloying groups 10 and 11 metals (Pd, Pt, Cu, Ag, and Au) in LACs supported on the NiAl(110) surfaces to elucidate the structural, energetic, and electronic properties. From the TM series studied here, Pt appears to be an energy-stabilization species; meanwhile, Ag has a contrasting behavior. The work function changes because the alloying in LACs was satisfactorily explained from the explicit surface dipole moment calculations using an ab initio calculation-based approach, which captured the electron density redistribution upon building the LAC.
More Related Videos
14:44Structure and Coordination Determination of Peptide-metal Complexes Using 1D and 2D 1H NMR
Published on: December 16, 2013
07:47Reverse Microemulsion-mediated Synthesis of Monometallic and Bimetallic Early Transition Metal Carbide and Nitride Nanoparticles
Published on: November 27, 2015
Related Concept Videos
Properties of Transition Metals
14:44Structure and Coordination Determination of Peptide-metal Complexes Using 1D and 2D 1H NMR
Cooperative Allosteric Transitions
07:47Reverse Microemulsion-mediated Synthesis of Monometallic and Bimetallic Early Transition Metal Carbide and Nitride Nanoparticles
09:20A Method to Manipulate Surface Tension of a Liquid Metal via Surface Oxidation and Reduction
11:20Fabrication of Superhydrophobic Metal Surfaces for Anti-Icing Applications