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Engineering surface atomic structure of single-crystal cobalt (II) oxide nanorods for superior electrocatalysis.

ABSTRACT: Engineering the surface structure at the atomic level can be used to precisely and effectively manipulate the reactivity and durability of catalysts. Here we report tuning of the atomic structure of one-dimensional single-crystal cobalt (II) oxide (CoO) nanorods by creating oxygen vacancies on pyramidal nanofacets. These CoO nanorods exhibit superior catalytic activity and durability towards oxygen reduction/evolution reactions. The combined experimental studies, microscopic and spectroscopic characterization, and density functional theory calculations reveal that the origins of the electrochemical activity of single-crystal CoO nanorods are in the oxygen vacancies that can be readily created on the oxygen-terminated {111} nanofacets, which favourably affect the electronic structure of CoO, assuring a rapid charge transfer and optimal adsorption energies for intermediates of oxygen reduction/evolution reactions. These results show that the surface atomic structure engineering is important for the fabrication of efficient and durable electrocatalysts.

SUBMITTER: Ling T

PROVIDER: S-EPMC5035995 | biostudies-literature |

REPOSITORIES: biostudies-literature

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Activating cobalt(II) oxide nanorods for efficient electrocatalysis by strain engineering.

Project description:Designing high-performance and cost-effective electrocatalysts toward oxygen evolution and hydrogen evolution reactions in water-alkali electrolyzers is pivotal for large-scale and sustainable hydrogen production. Earth-abundant transition metal oxide-based catalysts are particularly active for oxygen evolution reaction; however, they are generally considered inactive toward hydrogen evolution reaction. Here, we show that strain engineering of the outermost surface of cobalt(II) oxide nanorods can turn them into efficient electrocatalysts for the hydrogen evolution reaction. They are competitive with the best electrocatalysts for this reaction in alkaline media so far. Our theoretical and experimental results demonstrate that the tensile strain strongly couples the atomic, electronic structure properties and the activity of the cobalt(II) oxide surface, which results in the creation of a large quantity of oxygen vacancies that facilitate water dissociation, and fine tunes the electronic structure to weaken hydrogen adsorption toward the optimum region.

| S-EPMC5686154 | biostudies-literature

Surface engineering of hierarchical platinum-cobalt nanowires for efficient electrocatalysis.

Project description:Despite intense research in past decades, the lack of high-performance catalysts for fuel cell reactions remains a challenge in realizing fuel cell technologies for transportation applications. Here we report a facile strategy for synthesizing hierarchical platinum-cobalt nanowires with high-index, platinum-rich facets and ordered intermetallic structure. These structural features enable unprecedented performance for the oxygen reduction and alcohol oxidation reactions. The specific/mass activities of the platinum-cobalt nanowires for oxygen reduction reaction are 39.6/33.7 times higher than commercial Pt/C catalyst, respectively. Density functional theory simulations reveal that the active threefold hollow sites on the platinum-rich high-index facets provide an additional factor in enhancing oxygen reduction reaction activities. The nanowires are stable in the electrochemical conditions and also thermally stable. This work may represent a key step towards scalable production of high-performance platinum-based nanowires for applications in catalysis and energy conversion.

| S-EPMC4931244 | biostudies-literature

Atomic-resolution crystal structure of Borrelia burgdorferi outer surface protein A via surface engineering.

Project description:Outer surface protein A (OspA) from Borrelia burgdorferi has an unusual dumbbell-shaped structure in which two globular domains are connected with a "single-layer" beta-sheet (SLB). The protein is highly soluble, and it has been recalcitrant to crystallization. Only OspA complexes with Fab fragments have been successfully crystallized. OspA contains a large number of Lys and Glu residues, and these "high entropy" residues may disfavor crystal packing because some of them would need to be immobilized in forming a crystal lattice. We rationally designed a total of 13 surface mutations in which Lys and Glu residues were replaced with Ala or Ser. We successfully crystallized the mutant OspA without a bound Fab fragment and extended structure analysis to a 1.15 Angstroms resolution. The new high-resolution structure revealed a unique backbone hydration pattern of the SLB segment in which water molecules fill the "weak spots" on both faces of the antiparallel beta-sheet. These well-defined water molecules provide additional structural links between adjacent beta-strands, and thus they may be important for maintaining the rigidity of the SLB that inherently lacks tight packing afforded by a hydrophobic core. The structure also revealed new information on the side-chain dynamics and on a solvent-accessible cavity in the core of the C-terminal globular domain. This work demonstrates the utility of extensive surface mutation in crystallizing recalcitrant proteins and dramatically improving the resolution of crystal structures, and provides new insights into the stabilization mechanism of OspA.

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Synthesis and crystal structure of diisothiocyanatotetrakis(4-methylpyridine N-oxide)cobalt(II) and diisothiocyanatotris(4-methylpyridine N-oxide)cobalt(II) showing two different metal coordination polyhedra

Project description: Not available

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Reduced graphene oxide-supported cobalt oxide decorated N-doped graphitic carbon for efficient bifunctional oxygen electrocatalysis.

Project description:A high-performance composite bifunctional electrocatalyst for oxygen reduction reaction (ORR) and oxygen evolution reaction (OER) has been synthesized via in situ growth of a hybrid precursor of graphene oxide (GO) and cobalt-based zeolite imidazolium framework (ZIF-67) under hydrothermal condition, followed by calcination at elevated temperature. The as-prepared composite bifunctional catalyst is confirmed to possess a structure of N-GC/Co@CoO/rGO, with core-shell nanoparticles of Co@CoO encapsulated in nitrogen-doped graphitic carbon (N-GC) thin layers which are then overall supported by reduced graphene oxide (rGO) sheets. With N-GC furnishing high population of ORR active sites, CoO being active for OER which is further enhanced by a highly conductive metal core, rGO sheets enhancing the overall electronic conduction, as well as the multiple synergistic couplings in the composite materials, pronounced ORR and OER catalytic activities with superior stability have been achieved. The catalysts also showed excellent tolerance to the crossover effect to methanol, showing great potential in energy-related applications requiring efficient oxygen electrocatalysis.

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Synthesis, crystal structure and thermal properties of dibromidobis(2-methylpyridine N-oxide-κO)cobalt(II)

Project description: Not available

| S-EPMC10848989 | biostudies-literature

Superior asymmetric supercapacitor based on Ni-Co oxide nanosheets and carbon nanorods.

Project description:Nickel and cobalt (Ni-Co) binary oxide nanosheets with mesoporous structure are prepared by a facile approach based on the formation and disassociation of nickel/cobalt-citrate complex, and they show an ultra-high Faradaic capacitance up to 1846 F g(-1) and excellent rate capability. On this basic, advanced aqueous asymmetric supercapacitors (AASs) are successfully built by using the Ni-Co oxide as the positive electrode and three kinds of activated carbons respectively as the negative electrode. As-made AASs are able to work reversibly in a full operated voltage region of 0-1.6 V and exhibit outstanding electrochemical performance. Among them, activated polyaniline-derived carbon (APDC)//Ni-Co oxide AASs shows the highest specific capacitance of 202 F g(-1), the maximum energy density of 71.7 Wh kg(-1), and superior combination of high energy and power density (a energy density of 41.6 Wh kg(-1) at a high power density of 16 kW kg(-1)).

| S-EPMC3893647 | biostudies-literature

Synthesis, crystal structure and Hirshfeld surface analysis of tetra-aqua-bis-(isonicotinamide-κN1)cobalt(II) fumarate.

Project description:The reaction of cobalt(II) with fumaric acid (H2fum) and isonicotinamide in a basic solution produces the title salt, [Co(C6H6N2O)2(H2O)4](C4H2O4). In the complex cation, the CoII atom, located on an inversion centre, is coordinated by two isonicotinamide and four water mol-ecules in a distorted N2O4 octa-hedral geometry. The fumarate anion is located on another inversion centre and is linked to neighbouring complex cations via O-H⋯O and N-H⋯O hydrogen bonds and weak C-H⋯O hydrogen bonds. In the crystal, the complex cations are further linked by O-H⋯O, N-H⋯O and weak C-H⋯O hydrogen bonds, forming a three-dimensional supra-molecular architectecture. Hirshfeld surface analyses (dnorm surfaces and two-dimensional fingerprint plots) for the title compound are presented and discussed.

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Atomic-level engineering and imaging of polypeptoid crystal lattices.

Project description:Rational design of supramolecular nanomaterials fundamentally depends upon an atomic-level understanding of their structure and how it responds to chemical modifications. Here we studied a series of crystalline diblock copolypeptoids by a combination of sequence-controlled synthesis, cryogenic transmission electron microscopy, and molecular dynamics simulation. This family of amphiphilic polypeptoids formed free-floating 2-dimensional monolayer nanosheets, in which individual polymer chains and their relative orientations could be directly observed. Furthermore, bromine atom side-chain substituents in nanosheets were directly visualized by cryogenic transmission electron microscopy, revealing atomic details in position space inaccessible by conventional scattering techniques. While the polypeptoid backbone conformation was conserved across the set of molecules, the nanosheets exhibited different lattice packing geometries dependent on the aromatic side chain para substitutions. Peptoids are inherently achiral, yet we showed that sequences containing an asymmetric aromatic substitution pattern pack with alternating rows adopting opposite backbone chiralities. These atomic-level insights into peptoid nanosheet crystal structure provide guidance for the future design of bioinspired nanomaterials with more precisely controlled structures and properties.

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Oxidation States Regulation of Cobalt Active Sites through Crystal Surface Engineering for Enhanced Polysulfide Conversion in Lithium-Sulfur Batteries.

Project description:In this work, unique Co3 O4 /N-doped reduced graphene oxide (Co3 O4 /N-rGO) composites as favorable sulfur immobilizers and promoters for lithium-sulfur (Li-S) batteries are developed. The prepared Co3 O4 nanopolyhedrons (Co3 O4 -NP) and Co3 O4 nanocubes mainly expose (112) and (001) surfaces, respectively, with different atomic configurations of Co2+ /Co3+ sites. Experiments and theoretical calculations confirm that the octahedral coordination Co3+ (Co3+ Oh ) sites with different oxidation states from tetrahedral coordination Co2+ sites optimize the adsorption and catalytic conversion of lithium polysulfides. Specially, the Co3 O4 -NP crystals loaded on N-rGO expose (112) planes with ample Co3+ Oh active sites, exhibiting stronger adsorbability and superior catalytic activity for polysulfides, thus inhibiting the shuttle effect. Therefore, the S@Co3 O4 -NP/N-rGO cathodes deliver excellent electrochemical properties, for example, stable cyclability at 1 C with a low capacity decay rate of 0.058% over 500 cycles, superb rate capability up to 3 C, and high areal capacity of 4.1 mAh cm-2 . This catalyst's design incorporating crystal surface engineering and oxidation state regulation strategies also provides new approaches for addressing the complicated issues of Li-S batteries.

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