Atomic ensemble effects on formic acid oxidation on PdAu electrode studied by first-principles calculations

Optimal Electrocatalytic Pd/MWNTs Nanocatalysts toward Formic Acid Oxidation

“…Therefore, it is deduced from the almost same forward and reverse j p values that the CO ads poisoning species are not playing a major role in decreasing the current density during the forward scan with low HCOOH concentrations. The less produced CO ads poisoning species during forward scan are also consistent with the previous reports that FAOR is mainly proceeded through dehydrogenation pathway on Pd-based catalysts [54,55]. However, for 4.0 and 12.0 M HCOOH, Fig.…”

Branched PdAu nanowires with superior electrocatalytic formic acid oxidation activities

“…29 Yuan and Liu found the enhanced catalytic activity of PdAu nanoparticles resulted from the Pd site containing Au and the atomic distribution of the alloy. 30 For nanostructured electrocatalysts, catalytic performance is largely dependent on their surface structures, such as the surface facets, particle size, particle shape, etc. Xia and coworkers have shown that one-dimensional bimetallic nanowires exhibit enhanced electrocatalytic activity for anodic oxidation fuels because of the large specic areas.…”

Cost‐Effective Palladium‐Doped Cu Bimetallic Materials to Tune Selectivity and Activity by using Doped Atom Ensembles as Active Sites for Efficient Removal of Acetylene from Ethylene

“…Our results agree with the theoretical and experimental studies by Feng et al [68] that the (110)s urfaceo fPm3 m PdIn with single-atom Pd sites shows high selectivity for C 2 H 2 hydro-genationt oC 2 H 4 ,w hereas the (111)s urfaceo fP4/mmm Pd 3 In with Pd trimer sites shows low selectivity.T hus, the catalytic activity and selectivity of C 2 H 4 formationo ver aP d-doped Cu(111)s urfacem arkedlyd ependo nt he Pd geometrical distribution, namely,the surface Pd ensemblee ffect. [7,9] Overall, for the surfacee nsemble, these surface ensemble models can also presentt he surfaceP dsegregation over the Cu(111)s urface, aP d-doped Cu(111)s urface with the reduction of contiguousP ds ites as active sites is highly efficient in C 2 H 2 hydrogenation to C 2 H 4 ,which can suppress ethane formation as ar esult of the surface Pd ensemble. Particularly,t he Pd 1 Cu 8 surfacew ith the single-atom Pd sites andt he smallest surfaceP de nsemble significantly enhances the selectivity towards C 2 H 4 formation.…”

“…[2,4] Thus, identifying the structure and nature of such ensembles as active sites is an ef-fective approacht ou nderstand and enhancet he catalytic performance of bimetallic catalysts. [5][6][7][8][9][10] Nowadays, cost-effective noble metal Pd-dopedC ub imetallic catalysts have started to be appliedi nt he efficient removal of acetylene from ethylene by C 2 H 2 hydrogenation to C 2 H 4 ; [11][12][13][14][15] in this catalytic reaction, C 2 H 2 wastes that degrade the Ziegler-Natta catalysts for C 2 H 4 polymerization are converted into industrial feed stock C 2 H 4 .E ven doping av ery small quantity of noble-metalP di nto aC uc atalyst can exhibit a higher activity and selectivity towards C 2 H 2 hydrogenation to…”