2020
DOI: 10.1016/j.apsusc.2020.145382
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The mechanism study of oxygen reduction reaction (ORR) on non-equivalent P, N co-doped graphene

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Cited by 52 publications
(24 citation statements)
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“…Further, it may be noted that N and P atoms in the N, P-g system can have many different orientations and ratios than what has been considered in this work. Recently, Chen et al, [63] showed the favorable formation of oPN 3 -g, which is expected to increase the catalytic activity of the CrP surface as out of plane N atoms in the ortho position of P helps in increasing the electron depletion in the CrP. To understand the charge separation and the role of N/ P dopant in graphene, Bader charge calculations were done for all differently considered NP-g hybrids (Table S4, Supporting Information).…”
Section: Resultsmentioning
confidence: 99%
“…Further, it may be noted that N and P atoms in the N, P-g system can have many different orientations and ratios than what has been considered in this work. Recently, Chen et al, [63] showed the favorable formation of oPN 3 -g, which is expected to increase the catalytic activity of the CrP surface as out of plane N atoms in the ortho position of P helps in increasing the electron depletion in the CrP. To understand the charge separation and the role of N/ P dopant in graphene, Bader charge calculations were done for all differently considered NP-g hybrids (Table S4, Supporting Information).…”
Section: Resultsmentioning
confidence: 99%
“…To clarify the real active sites in P, N-graphene, the theoretical works were conducted [ 88 , 112 , 113 ]. As shown in Figure 7 , the free energy of different P-containing structures for ORR are calculated by DFT simulation.…”
Section: Phosphorus-doped Graphene For Metal-free Orr Electrocatalystmentioning
confidence: 99%
“…The four-electron pathway directly reduces oxygen to water, while the two-electron pathway has hydrogen peroxide as the intermediate of the reaction. The four-electron pathway is obviously preferable to the two-electron pathway with the reaction intermediate hydrogen peroxide, and the path used for the specific catalyst depends on the type of catalyst [ 24 ].…”
Section: Introductionmentioning
confidence: 99%