@conference {430,
	title = {Strong chemisorption of CO on neutral B13 cluster edge site},
	year = {2017},
	month = {8{\textendash}11 Aug 2017},
	pages = {PS-03},
	publisher = {9th Conference of Asian Consortium on Computational Materials Science},
	address = {Kuala Lumpur, Malaysia},
	abstract = {We investigate the interaction of carbon monoxide (CO) molecule with neutral boron 13 (B13) cluster using spin-polarized density functional theory (DFT). We found that the edge sites of B13 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~B13 cluster~could have potential applications in the storage and sequestration of CO molecules.},
	url = {https://umconference.um.edu.my/accms-9},
	author = {Alexandra B. Santos-Putungan and Nata{\v s}a Stoji{\'c} and Nadia Binggeli and Francis N. C. Paraan}
}