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Exploring the catalytic efficiency of X-doped (X=B, N, P) graphene in oxygen reduction reaction: Influence of solvent and border effects

Fernando Aguilar-Galindo,Pilar Ocón,Jose M. Lopez Poyato;Fernando Aguilar-Galindo;Pilar Ocón;Jose M....

2017 international journal of quantum chemistry DOI: 10.1002/qua.25579 313 views

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Density functional theory oxygen reduction reaction dopedgraphene natural bond orbital