@article {C3RA23016C,
	title = {Oxygen reduction reaction on active sites of heteroatom-doped graphene},
	journal = {RSC Adv.},
	volume = {3},
	year = {2013},
	note = {n/a},
	pages = {5498-5505},
	publisher = {The Royal Society of Chemistry},
	abstract = {<p>With first-principle DFT calculations{,} the catalytic activity of heteroatom-doped carbon nanostructures in oxygen reduction reaction is investigated by exploring the active site of B-doped{,} N-doped and (B{,} N)-codoped and analyzing the kinetic pathways of oxygen reduction with the participation of protons. It is found that the heteroatom-doped graphene can become the effective catalysis materials for ORR with four-electron pathway. Especially{,} the formation of epoxide groups may be important for the four-electron processes on B-doped and (B{,} N)-codoped graphene. By the analysis of charge redistribution{,} the formation of active catalytic sites is attributed to the localized positive charge and electronic dipole induced by the dopant.</p>
},
	doi = {10.1039/C3RA23016C},
	url = {http://dx.doi.org/10.1039/C3RA23016C},
	author = {Xiaofeng Fan and Zheng, W.T. and Jer-Lai Kuo}
}
