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RISS 인기검색어
- 검색키워드
- 저자 : Ranjit Thapa (검색결과 2 건)
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신동빈,Ranjit Thapa,박노정 한국물리학회 2015 Current Applied Physics Vol.15 No.6
Dioxygen adsorption and activation on metal-ligand systems are the key elements for biological oxidative metabolisms and also catalyst design for the oxygen reduction reaction (ORR). We show, through first-principles calculations, that similar dioxygen adducts can form on metal-free n-type doped hexagonal boron nitride (h-BN) nanostructures. The density of electron donors determines the charge state of dioxygen, either in superoxo and peroxo, which exactly correlates with the ‘end-on’ and ‘side-on’ configurations, respectively. Activated O2 in the superoxo state shows a better catalytic performance possibly mediating the direct four-electron reduction. The formation of hydrogen peroxide (H2O2) is practically eliminated, and thus we suggest that a surface coated with the n-type doped h-BN can be the basis for an ORR catalyst with increased stability.
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Self-Size-Limiting Nanoscale Perforation of Graphene for Dense Heteroatom Doping
Maiti, Uday Narayan,Thapa, Ranjit,Lim, Joonwon,Li, Dong Jun,Kim, Kwang Ho,Kim, Sang Ouk American Chemical Society 2015 ACS APPLIED MATERIALS & INTERFACES Vol.7 No.46
<P>A scalable and controllable nanoscale perforation method for graphene is developed on the basis of the two-step thermal activation of a graphene aerogel. Different resistance to the thermal oxidation between graphitic and defective domains in the weakly reduced graphene oxide is exploited for the self-limiting nanoscale perforation in the graphene basal plane via selective thermal degradation of the defective domains. The resultant nanoporous graphene with a narrow pore-size distribution addresses the long-standing challenge for the high-level doping of graphene with lattice-mismatched large-size heteroatoms (S and P). Noticeably, this novel heteroatom doping strategy is demonstrated to be highly effective for oxygen reduction reaction (ORR) catalysis. Not only the higher level of heteroatom doping but also favorable spin and charge redistribution around the pore edges leads to a strong ORR activity as supported by density functional theory calculations.</P><P><B>Graphic Abstract</B> <IMG SRC='http://pubs.acs.org/appl/literatum/publisher/achs/journals/content/aamick/2015/aamick.2015.7.issue-46/acsami.5b08391/production/images/medium/am-2015-08391s_0006.gif'></P><P><A href='http://pubs.acs.org/doi/suppl/10.1021/am5b08391'>ACS Electronic Supporting Info</A></P>
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