Single indium atoms and few-atom indium clusters anchored onto graphene via silicon heteroatoms

  title={Single indium atoms and few-atom indium clusters anchored onto graphene via silicon heteroatoms},
  author={Kenan Elibol and Clemens Mangler and David D. O’Regan and Kimmo Mustonen and Dominik Eder and Jannik C. Meyer and Jani Kotakoski and Richard G Hobbs and Peter A. van Aken and Toma Susi and Bernhard C. Bayer},
  journal={Microscopy and Microanalysis},
  pages={3346 - 3347}
Single atoms and few-atom nanoclusters are of high interest in catalysis and plasmonics, but pathways for their fabrication and stable placement remain scarce. We report here the self-assembly of room-temperature-stable single indium (In) atoms and few-atom In clusters (2-6 atoms) that are anchored to substitutional silicon (Si) impurity atoms in suspended monolayer graphene membranes. Using atomically resolved scanning transmission electron microscopy (STEM), we find that the exact atomic… 
1 Citations
Resolving few-layer antimonene/graphene heterostructures
Two-dimensional (2D) antimony (Sb, “antimonene”) is of interest in electronics and batteries. Sb however exhibits a large allotropic structural diversity, which is also influenced by its support.


Activation of atom-precise clusters for catalysis
The use of atom-precise, ligand-protected metal clusters has exceptional promise towards the fabrication of model supported-nanoparticle heterogeneous catalysts which have controlled sizes and
Metal Catalysts for Heterogeneous Catalysis: From Single Atoms to Nanoclusters and Nanoparticles
This Review will compare the results obtained from different systems and try to give a picture on how different types of metal species work in different reactions and give perspectives on the future directions toward better understanding of the catalytic behavior of different metal entities in a unifying manner.
Catalysis by clusters with precise numbers of atoms.
Examination of work on size-selected supported clusters in ultrahigh-vacuum environments and under realistic reaction conditions, and the use of computational methods to provide a mechanistic understanding of their catalytic properties.
Greatly enhanced adsorption and catalytic activity of Au and Pt clusters on defective graphene.
The simplest single-carbon-vacancy defect on graphene was found to play an essential role in the catalyzed chemical reaction of CO oxidation.
Highly efficient catalytic activity for the hydrogen evolution reaction on pristine and monovacancy defected WP systems: a first-principles investigation.
It was found that the formation of the W-monovacancy can significantly improve HER activity since the decreased coordination number of the correlative atoms brings some new active sites around the defect.
Accurate ionic forces and geometry optimization in linear-scaling density-functional theory with local orbitals
Linear scaling methods for density-functional theory (DFT) simulations are formulated in terms of localized orbitals in real space, rather than the delocalized eigenstates of conventional approaches.
The ONETEP linear-scaling density functional theory program.
Calculations with onetep provide unique insights into large and complex systems that require an accurate atomic-level description, ranging from biomolecular to chemical, to materials, and to physical problems, as it is shown with a small selection of illustrative examples.
Pulay forces from localized orbitals optimized in situ using a psinc basis set.
It is demonstrated that for strict localization constraints, especially with small localization regions, there can be non-negligible Pulay forces that must be calculated as a correction to the Hellmann-Feynman forces in the ground state.
Catalytic Activity of Titanium Silicalites—a DFT Study
A theoretical study of the catalytic activation of hydrogen peroxide on titanium silicalites is presented. Calculations for several peroxide adsorption structures show that the interaction is weak.
Small-molecule catalysis
This Insight will inspire both chemists and non-chemists, by providing fresh ideas about catalysis and the possibilities that it offers for the future, and focuses on a key sector within the field: what the authors are calling ‘small-molecule’ catalysis.