Role of Pt atoms on Pd(1 1 1) surface in the direct synthesis of hydrogen peroxide: Nano-catalytic experiments and DFT calculations

Looking for the “Dream Catalyst” for Hydrogen Peroxide Production from Hydrogen and Oxygen

“…Also for Pd-Pt alloy catalysts, electron transfer takes place between Pt and Pd [50,70,71]. The introduction of a small amount of Pt into the Pd catalyst may result in electron transfer from Pd to Pt, reducing the strength of the Pd-O bond, thereby inhibiting the dissociation of O 2 and increasing the selectivity of H 2 O 2 .…”

The Direct Synthesis of Hydrogen Peroxide over AuPd Nanoparticles: An Investigation into Metal Loading

“…While Pd-based catalysts have been well reported to offer high activity towards H 2 O 2 production via the direct route [1,3,[10][11][12][13][14], there has been extensive investigation into the alloying of Pd with secondary metals to improve catalytic performance [15][16][17][18][19][20][21][22][23][24]. Indeed, the introduction of Au into supported Pd catalysts has been widely demonstrated to improve catalytic efficacy, with electronic, structural and isolation effects all potential causes for the enhanced performance typically observed in AuPd bi-metallic systems [25][26][27][28].…”

Electrochemically Modeling a Nonelectrochemical System: Hydrogen Peroxide Direct Synthesis on Palladium Catalysts

“…[7][8][9][10][11][12][13][14] Despite many efforts in researching HPDS so far, the reaction mechanism of HPDS on metal catalysts is still controversial, even for the most prototypic Pd catalysts. 15 The generally accepted mechanism for the HPDS is the Langmuir-Hinshelwood (LH) mechanism (Figure 1a), [16][17][18][19][20][21][22][23][24][25][26] where surfaceactivated *H species (* denotes a surface site) react with *O2 species adsorbed on the catalyst surface one-by-one to form H2O2. In particular, in first-principles studies, the LH mechanism has widely been accepted mainly due to its straightforwardness for modeling the catalytic reaction on metal surfaces.…”

“…In particular, in first-principles studies, the LH mechanism has widely been accepted mainly due to its straightforwardness for modeling the catalytic reaction on metal surfaces. On the basis of the LH mechanism, several first-principles studies have explored the effects of coadsorbates such as -H, 17 -O, [19][20] and -Br; 21 various facets; 27 charge transfers by metal doping; [23][24] and surface oxidation. 18 On the other hand, Wilson and Flaherty experimentally suggested a heterolytic mechanism for HPDS on Pd nanoparticles (NPs) (Figure 1b), 28 where the feasibility of the LH mechanism was questioned based on the results that the kinetics of the HPDS reaction were inconsistent with those of the LH mechanism.…”

“…Most catalysts reported to perform HPDS under ambient conditions have been limited to Pd and its bimetallic derivatives. − Despite many efforts to research HPDS to date, the reaction mechanism of HPDS on metal catalysts is still controversial, even for the most prototypical Pd catalysts . The generally accepted mechanism for HPDS is the Langmuir–Hinshelwood (LH) mechanism (Figure a), − in which surface-activated *H species (where * denotes a surface site) react with *O 2 species adsorbed on the catalyst surface one-by-one to form H 2 O 2 . In particular, in theoretical studies using density functional theory (DFT), the LH mechanism has widely been accepted mainly because of its straightforwardness for modeling the catalytic reaction on metal surfaces.…”