Browse
Submit Data
Databases
API
Help

Dataset Information

26 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Al13@Pt42 core-shell cluster for oxygen reduction reaction.

ABSTRACT: To increase Pt utilization for oxygen reduction reaction (ORR) in fuel cells, reducing particle sizes of Pt is a valid way. However, poisoning or surface oxidation limits the smallest size of Pt particles at 2.6?nm with a low utility of 20%. Here, using density functional theory calculations, we develop a core-shell Al13@Pt42 cluster as a catalyst for ORR. Benefit from alloying with Al in this cluster, the covalent Pt-Al bonding effectively activates the Pt atoms at the edge sites, enabling its high utility up to 70%. Valuably, the adsorption energy of O is located at the optimal range with 0.0-0.4?eV weaker than Pt(111), while OH-poisoning does not observed. Moreover, ORR comes from O2 dissociation mechanism where the rate-limiting step is located at OH formation from O and H with a barrier of 0.59?eV, comparable with 0.50?eV of OH formation from O and H2O on Pt(111).

SUBMITTER: Xiao BB

PROVIDER: S-EPMC5381497 | biostudies-literature | 2014 Jun

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Al13@Pt42 core-shell cluster for oxygen reduction reaction.

Xiao B B BB Zhu Y F YF Lang X Y XY Wen Z Z Jiang Q Q

Scientific reports 20140606

To increase Pt utilization for oxygen reduction reaction (ORR) in fuel cells, reducing particle sizes of Pt is a valid way. However, poisoning or surface oxidation limits the smallest size of Pt particles at 2.6 nm with a low utility of 20%. Here, using density functional theory calculations, we develop a core-shell Al13@Pt42 cluster as a catalyst for ORR. Benefit from alloying with Al in this cluster, the covalent Pt-Al bonding effectively activates the Pt atoms at the edge sites, enabling its ...[more]

PMID: 24902886

Similar Datasets

Core-shell Au@Pd nanoparticles with enhanced catalytic activity for oxygen reduction reaction via core-shell Au@Ag/Pd constructions.

Project description:Core-shell nanoparticles often exhibit improved catalytic properties due to the lattice strain created in these core-shell particles. Herein, we demonstrate the synthesis of core-shell Au@Pd nanoparticles from their core-shell Au@Ag/Pd parents. This strategy begins with the preparation of core-shell Au@Ag nanoparticles in an organic solvent. Then, the pure Ag shells are converted into the shells made of Ag/Pd alloy by galvanic replacement reaction between the Ag shells and Pd(2+) precursors. Subsequently, the Ag component is removed from the alloy shell using saturated NaCl solution to form core-shell Au@Pd nanoparticles with an Au core and a Pd shell. In comparison with the core-shell Au@Pd nanoparticles upon directly depositing Pd shell on the Au seeds and commercial Pd/C catalysts, the core-shell Au@Pd nanoparticles via their core-shell Au@Ag/Pd templates display superior activity and durability in catalyzing oxygen reduction reaction, mainly due to the larger lattice tensile effect in Pd shell induced by the Au core and Ag removal.

| S-EPMC4491719 | biostudies-literature

Platinum-trimer decorated cobalt-palladium core-shell nanocatalyst with promising performance for oxygen reduction reaction.

Project description:Advanced electrocatalysts with low platinum content, high activity and durability for the oxygen reduction reaction can benefit the widespread commercial use of fuel cell technology. Here, we report a platinum-trimer decorated cobalt-palladium core-shell nanocatalyst with a low platinum loading of only 2.4 wt% for the use in alkaline fuel cell cathodes. This ternary catalyst shows a mass activity that is enhanced by a factor of 30.6 relative to a commercial platinum catalyst, which is attributed to the unique charge localization induced by platinum-trimer decoration. The high stability of the decorated trimers endows the catalyst with an outstanding durability, maintaining decent electrocatalytic activity with no degradation for more than 322,000 potential cycles in alkaline electrolyte. These findings are expected to be useful for surface engineering and design of advanced fuel cell catalysts with atomic-scale platinum decoration.

| S-EPMC6347633 | biostudies-literature

Rational syntheses of core-shell Fex@Pt nanoparticles for the study of electrocatalytic oxygen reduction reaction.

Project description:We report on the syntheses of core-shell Fex@Pt (x=0.4-1.2) nanoparticles (NPs) with Pt-shell thickness systematically controlled while the overall particle size is constant. The syntheses were achieved via one-pot ultrasound-assisted polyol synthesis (UPS) reactions. Fe1.2@Pt showed a record-breaking high core-element content (55 at%) of core-shell NPs. Based on observations from a series of control experiments, we propose a mechanism of the NPs' formation that enables control of shell thickness in UPS reactions. Fex@Pt NPs showed drastic enhancements in mass and specific activity for oxygen reduction reaction (ORR) and significantly enhanced durability compared to commercial Pt NPs. Fex@Pt with a 1 (monolayer) ML Pt shell showed the highest activity. The ab initio density functional theory calculations on the binding energies of oxygen species on the surfaces of Fex@Pt NPs showed that the 1?ML case is most favourable for the ORR, and in good agreement with the experimental results.

| S-EPMC3791448 | biostudies-literature

Cobalt Oxide and Cobalt-Graphitic Carbon Core-Shell Based Catalysts with Remarkably High Oxygen Reduction Reaction Activity.

Project description:The vital role of ethylenediaminetetraacetic acid on the structure and the oxygen reduction reaction activity of the non-precious-metal-based pyrolyzed catalyst is reported and elaborated. The resultant catalyst can overtake the performance of commercial Pt/C catalyst in an alkaline medium.

| S-EPMC5039978 | biostudies-other

Dealloying of Nitrogen-Introduced Pt-Co Alloy Nanoparticles: Preferential Core-Shell Formation with Enhanced Activity for Oxygen Reduction Reaction.

Project description:Voltammetric dealloying is a typical method to synthesize Pt-shell/less-noble metal (M) alloy core nanoparticles (NPs) toward the oxygen reduction reaction (ORR). The pristine nanostructures of the Pt-M alloy NPs should determine the ORR activity of the dealloyed NPs. In this study, we investigated the voltammetric dealloying behavior of the Pt-Co and nitrogen-introduced Pt-Co alloy NPs generated by synchronous arc-plasma deposition of Pt and Co. The results showed that the dealloying behavior is sensitive to cobalt nitride in the pristine NPs, leading to the preferential generation of a Pt-rich shell/Pt-Co alloy core architecture having enhanced ORR activity.

| S-EPMC6640784 | biostudies-literature

Hierarchical CO(2)-protective shell for highly efficient oxygen reduction reaction.

Project description:The widespread application of intermediate-temperature solid oxide fuel cells is mainly being hurdled by the cathode's low efficiency on oxygen reduction reaction and poor resistance to carbon dioxide impurity. Here we report the fabrication of a hierarchical shell-covered porous cathode through infiltration followed by microwave plasma treatment. The hierarchical shell consists of a dense thin-film substrate with cones on the top of the substrate, leading to a three-dimensional (3D) heterostructured electrode. The shell allows the cathode working stably in CO(2)-containing air, and significantly improving the cathode's oxygen reduction reactivity with an area specific resistance of ∼0.13 Ωcm(2) at 575°C. The method is also suitable for fabricating functional shell on the irregularly shaped substrate in various applications.

| S-EPMC3309399 | biostudies-literature

Core@shell structured Co-CoO@NC nanoparticles supported on nitrogen doped carbon with high catalytic activity for oxygen reduction reaction.

Project description:A composite with a hierarchical structure consisting of nitrogen doped carbon nanosheets with the deposition of nitrogen doped carbon coated Co-CoO nanoparticles (Co-CoO@NC/NC) has been synthesized by a simple procedure involving the drying of the reaction mixture containing Co(NO3)2, glucose, and urea and its subsequent calcination. The drying step is found to be necessary to obtain a sample with small and uniformly sized Co-CoO nanoparticles. The calcination temperature has a great effect on the catalytic activity of the final product. Specifically, the sample prepared at the calcination temperature of 800 °C shows better catalytic activity of the oxygen reduction reaction (ORR). Urea in the reaction mixture is crucial to obtain the sample with the uniformly sized Co-CoO nanoparticles and also plays an important role in improving the catalytic activity of the Co-CoO@NC/NC. Additionally, there exists a strong electronic interaction between the Co-CoO nanoparticles and the NC. Most interestingly, the Co-CoO@NC/NC is highly efficient for the ORR and can deliver an ORR onset potential of 0.961 V vs. RHE and a half-wave potential of 0.868 V vs. RHE. Both the onset and half-wave potentials are higher than those of most catalysts reported previously and even close to those of the commercial Pt/C (the ORR onset and half-wave potential of the Pt/C are 0.962 and 0.861 V vs. RHE, respectively). This, together with its high stability, strongly suggests that the Co-CoO@NC/NC could be used as an efficient catalyst for the ORR.

| S-EPMC9079892 | biostudies-literature

A dinuclear cobalt cluster as electrocatalyst for oxygen reduction reaction.

Project description:Dinuclear metal clusters as metalloenzymes execute efficient catalytic activities in biological systems. Enlightened by this, a dinuclear {CoII 2} cluster was selected to survey its ORR (Oxygen Reduction Reaction) catalytic activities. The crystalline {CoII 2} possesses defined structure and potential catalytic active centers of {CoN4O2} sites, which was identified by X-ray single crystal diffraction, Raman and XPS. The appropriate supramolecular porosity combining abundant pyridinic-N and triazole-N sites of {CoII 2} catalyst synergistically benefit the ORR performance. As a result, this non-noble metal catalyst presents a nice ORR electrocatalytic activity and abides by a nearly 4-electron reduction pathway. Thus, this unpyrolyzed crystalline catalyst clearly provide precise active sites and the whole defined structural information, which can help researcher to design and fabricate efficient ORR catalysts to improve their activities. Considering the visible crystal structure, a single cobalt center-mediated catalytic mechanism was also proposed to elucidate the ORR process.

| S-EPMC9076674 | biostudies-literature

Palladium-platinum core-shell icosahedra with substantially enhanced activity and durability towards oxygen reduction.

Project description:Conformal deposition of platinum as ultrathin shells on facet-controlled palladium nanocrystals offers a great opportunity to enhance the catalytic performance while reducing its loading. Here we report such a system based on palladium icosahedra. Owing to lateral confinement imposed by twin boundaries and thus vertical relaxation only, the platinum overlayers evolve into a corrugated structure under compressive strain. For the core-shell nanocrystals with an average of 2.7 platinum overlayers, their specific and platinum mass activities towards oxygen reduction are enhanced by eight- and sevenfold, respectively, relative to a commercial catalyst. Density functional theory calculations indicate that the enhancement can be attributed to the weakened binding of hydroxyl to the compressed platinum surface supported on palladium. After 10,000 testing cycles, the mass activity of the core-shell nanocrystals is still four times higher than the commercial catalyst. These results demonstrate an effective approach to the development of electrocatalysts with greatly enhanced activity and durability.

| S-EPMC4506534 | biostudies-literature

Core-Shell Prussian Blue Analogs with Compositional Heterogeneity and Open Cages for Oxygen Evolution Reaction.

Project description:Here, a reduction-cation exchange (RCE) strategy is proposed for synthesizing Fe-Co based bimetallic Prussian blue analogs (PBAs) with heterogeneous composition distribution and open cage nanocage architecture. Specially, bivalent cobalt is introduced into a potassium ferricyanide solution containing hydrochloric acid and polyvinyl pyrrolidone. The uniform PBAs with opened cages are formed tardily after hydrothermal reaction. Time-dependent evolution characterization on composition elucidating the RCE mechanism is based on the sequential reduction of ferric iron and cation exchange reaction between divalent iron and cobalt. The PBA structures are confirmed by electron tomography technology, and the heterogeneous element distribution is verified by energy-dispersive X-ray spectroscopy elemental analysis, leading to the formation of core-shell PBAs with compositional heterogeneity (Fe rich shell and Co rich core) and open cage architecture. When the PBA catalysts are used to boost the oxygen evolution reaction (OER), superior OER activity and long-term stability (low overpotential of 271 mV at 10 mA cm-2 and ≈5.3% potential increase for 24 h) are achieved, which is attributed to the unique compositional and structural properties as well as high special surface areas (576.2 m2 g-1). The strategies offer insights for developing PBAs with compositional and structural multiplicity, which encourages more practical catalytic applications.

| S-EPMC6446613 | biostudies-literature

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

Tweets

OmicsDI Databases

PRIDE
PeptideAtlas
MassIVE
JPOST Repository
Physiome Model Repository

EGA
EVA
ENA
LINCS
PAXDB
Cell Collective

MetaboLights
Metabolomics Workbench
MetabolomeExpress
GNPS
BioModels
FAIRDOMHub

ArrayExpress
dbGaP
ExpressionAtlas
GEO
NODE

Information

Databases
Help
API
Contact us
Code on GitHub
Terms of use
Submit Data