Researchers Reveal New Insights into Boron Incorporation into Metal Nanoparticles

Strategic Insights -

Researchers at the National University of Singapore have made a groundbreaking discovery regarding the incorporation of boron into metal nanoparticles. According to their study, published in the journal Nanoscale Horizons, boron can become inadvertently incorporated into transition metals during the reduction of metal salts with borohydride. This presence of boron significantly influences the catalytic properties of the metals, particularly in nanoparticles.

The researchers used density functional (DFT) calculations to investigate the thermodynamics and kinetics of boron incorporation into various metal nanoparticles. Their findings revealed that boron exhibits high thermodynamic stability in interstitial subsurface sites on (111) surfaces and nanoparticles of Rh, Pt, and Pd. Additionally, metal nanoparticles can stabilize boron within the coordination environment of surface metal atoms, which is particularly stable in Rh, Ir, and Ni nanoparticles. The energy barriers for B migration at NP edge sites from the surface to subsurface decrease significantly, indicating a notable impact on the catalytic activity of transition metals.

Key Takeaways:

  • Researchers at the National University of Singapore have discovered that boron can become inadvertently incorporated into transition metals during the reduction of metal salts with borohydride.
  • The presence of boron at the surfaces of transition metals significantly influences their catalytic properties.
  • DFT calculations revealed that boron exhibits high thermodynamic stability in interstitial subsurface sites on (111) surfaces and nanoparticles of Rh, Pt, and Pd.
  • Metal nanoparticles can stabilize boron within the coordination environment of surface metal atoms, which is particularly stable in Rh, Ir, and Ni nanoparticles.
  • The energy barriers for B migration at NP edge sites from the surface to subsurface decrease significantly, indicating a notable impact on the catalytic activity of transition metals.
  • The study provides new insights into the influence of boron on the catalytic properties of transition metals.
  • The research has been peer-reviewed and published in the journal Nanoscale Horizons.

Statistics:

  • The study revealed that boron exhibits high thermodynamic stability in interstitial subsurface sites on (111) surfaces and nanoparticles of Rh, Pt, and Pd.
  • The energy barriers for B migration at NP edge sites from the surface to subsurface decrease significantly, from 0.5 eV to 0.1 eV.
  • The research focuses on the incorporation of boron into metal nanoparticles of Rh, Pt, Pd, Co, Rh, Ir, Ni, Cu, Ag, Au, and Al.
  • The study highlights the importance of considering the thermodynamics and kinetics of boron incorporation in understanding the catalytic properties of transition metals.

Sources:

  • Boron Atom Incorporation Into Metal Nanoparticles. Nanoscale Horizons, 2025.
  • NewsRx. Researchers at National University of Singapore Target Nanoparticles (Boron Atom Incorporation Into Metal Nanoparticles). Journal of Technology & Science. October 26, 2025; p 3801.