2016
DOI: 10.1002/anie.201601727
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Theoretical Modelling and Facile Synthesis of a Highly Active Boron‐Doped Palladium Catalyst for the Oxygen Reduction Reaction

Abstract: A highly active alternative to Pt electrocatalysts for the oxygen reduction reaction (ORR), which is the cathode-electrode reaction of fuel cells, is sought for higher fuel-cell performance. Our theoretical modelling reveals that B-doped Pd (Pd-B) weakens the absorption of ORR intermediates with nearly optimal binding energy by lowering the barrier associated with O2 dissociation, suggesting Pd-B should be highly active for ORR. In fact, Pd-B, facile synthesized by an electroless deposition process, exhibits 2… Show more

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Cited by 98 publications
(83 citation statements)
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“…Pd‐based alloy NPs have been developed mainly by combination with d‐block elements such as Pd–Co, Pd–Ni, Pd–Cu, Pd–Ru, Pd–Rh, Pd–Ag, Pd–Pt, Pd–Au, etc. On the other hand, alloy NPs composed of Pd and light p‐block elements including B, C, or P, have also attracted much attention as functional nanomaterials. Boron is light and possesses covalent bonding character.…”
Section: Figurementioning
confidence: 99%
“…Pd‐based alloy NPs have been developed mainly by combination with d‐block elements such as Pd–Co, Pd–Ni, Pd–Cu, Pd–Ru, Pd–Rh, Pd–Ag, Pd–Pt, Pd–Au, etc. On the other hand, alloy NPs composed of Pd and light p‐block elements including B, C, or P, have also attracted much attention as functional nanomaterials. Boron is light and possesses covalent bonding character.…”
Section: Figurementioning
confidence: 99%
“…These lower binding energies reduced the reaction barrier of the rate determining step of ORR and resulted in higher catalytic activity for the B doped Pd (Pd-B). [102] This thesis strongly believe that the results reported in the previously mentioned work was observed here as well. From the XRD image in Figure 9, there was a downward shift in Bragg's angle (0.9 o ) when comparing the amorphous Pd-P (39.3 o ) to the crystalline Pd-N 2 H 4 (40.2 o ).…”
Section: Importance Of Amorphous Nature and Industrial Application Ofsupporting
confidence: 87%
“…[10] On the other hand, doping an onmetallic element such as boron to Pd-based catalysts is also an attractive strategy for achieving high electrocatalytic performance. [11] The incorporation of boron into the metal lattices would downshift the dband center of metal owing to the electron transfer between the d orbitalo ft he metal and the p orbitalo fb oron. [12] Inspired by this idea, it is highly desired to develop af acile and mild synthetic method for the synthesis of boron-dopedm ultimetallicn anocrystals with dendritic nanostructures for the FAOR.…”
Section: Introductionmentioning
confidence: 99%