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Network Covalent Solids02:18

Network Covalent Solids

Network covalent solids contain a three-dimensional network of covalently bonded atoms as found in the crystal structures of nonmetals like diamond, graphite, silicon, and some covalent compounds, such as silicon dioxide (sand) and silicon carbide (carborundum, the abrasive on sandpaper). Many minerals have networks of covalent bonds.
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Adsorption is a process where molecules, known as the adsorbates, accumulate on a surface, which is referred to as the adsorbent or substrate. Occurring at the solid-gas interface, this phenomenon is crucial in various scientific and industrial contexts. The reverse of adsorption is desorption.Two types of adsorptions exist: physical (physisorption) and chemical (chemisorption). Physisorption involves gas molecules held to the solid's surface by relatively weak intermolecular van der Waals...
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Platinum single-atom adsorption on graphene: a density functional theory study.

Sasfan Arman Wella1,2, Yuji Hamamoto1,3, Suprijadi2

  • 1Department of Precision Science and Technology, Graduate School of Engineering, Osaka University 2-1 Yamada-oka, Suita Osaka 565-0871 Japan ihamada@prec.eng.osaka-u.ac.jp.

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|September 22, 2022
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Single platinum atoms on graphene edges show enhanced catalytic activity. Computational studies reveal preferential adsorption at substitutional carbon sites, crucial for understanding single-atom catalyst performance.

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Area of Science:

  • Materials Science
  • Catalysis
  • Surface Chemistry

Background:

  • Single-atom catalysis offers enhanced activity and reduced precious metal usage.
  • Platinum on graphene shows promise for reactions like methanol oxidation.
  • The atomic structure of Pt on graphene is key to understanding its catalytic behavior.

Purpose of the Study:

  • To computationally investigate the atomic structure of platinum adsorbed on graphene nanoribbon edges.
  • To understand the preferential adsorption sites and interactions of single platinum atoms on graphene.

Main Methods:

  • Density functional theory based thermodynamics.
  • Core level shift calculations to corroborate structural findings.

Main Results:

  • Single platinum atoms preferentially adsorb on substitutional carbon sites at hydrogen-terminated graphene edges.
  • Large positive core level shifts indicate strong Pt-graphene interactions.
  • Detailed atomistic structures of platinum adsorbed on graphene edges were determined.

Conclusions:

  • The study clarifies the atomic structure of single platinum atoms on graphene edges.
  • This understanding provides a basis for designing and optimizing platinum-graphene single-atom catalysts.
  • Strong Pt-graphene interactions are confirmed, contributing to catalytic potential.