@conference{bibcite_1239,
  author = {Alexandra B. Santos-Putungan and Nata{\v s}a Stoji{\'c} and Nadia Binggeli and Francis N. C. Paraan},
  title = {Strong chemisorption of CO on neutral B$_{1}$$_{3}$ cluster edge site},
  abstract = {<p>We investigate the interaction of carbon monoxide (CO) molecule with neutral boron 13 (B$_{1}$$_{3}$) cluster using spin-polarized density functional theory (DFT). We found that the edge sites of B$_{1}$$_{3}$ cluster is the most reactive part, with strong CO adsorption of around -1.67 eV. Molecular orbitals analysis of the cluster shows that the HOMO nearest to the Fermi level contributes to the adsorption of CO molecule. Our results indicate that B$_{1}$$_{3}$ cluster could have potential applications in the storage and sequestration of CO molecules.</p>},
  year = {2017},
  pages = {PS-03},
  month = {8{\textendash}11 Aug 2017},
  organization = {9th Conference of Asian Consortium on Computational Materials Science},
  address = {Kuala Lumpur, Malaysia},
  url = {https://drive.google.com/file/d/1HAXu5o2oQmZY5zhD6TzRnwVqkKxztj9E/view},
}