<?xml version="1.0" encoding="UTF-8"?><xml><records><record><source-app name="Biblio" version="6.x">Drupal-Biblio</source-app><ref-type>17</ref-type><contributors><authors><author><style face="normal" font="default" size="100%">Xiaofeng Fan</style></author><author><style face="normal" font="default" size="100%">Zheng, W.T.</style></author><author><style face="normal" font="default" size="100%">Jer-Lai Kuo</style></author></authors></contributors><titles><title><style face="normal" font="default" size="100%">Oxygen reduction reaction on active sites of heteroatom-doped graphene</style></title><secondary-title><style face="normal" font="default" size="100%">RSC Adv.</style></secondary-title></titles><dates><year><style  face="normal" font="default" size="100%">2013</style></year></dates><urls><web-urls><url><style face="normal" font="default" size="100%">http://dx.doi.org/10.1039/C3RA23016C</style></url></web-urls></urls><publisher><style face="normal" font="default" size="100%">The Royal Society of Chemistry</style></publisher><volume><style face="normal" font="default" size="100%">3</style></volume><pages><style face="normal" font="default" size="100%">5498-5505</style></pages><language><style face="normal" font="default" size="100%">eng</style></language><abstract><style face="normal" font="default" size="100%">&lt;p&gt;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.&lt;/p&gt;
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