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Rational confinement engineering of MOF-derived carbon-based electrocatalysts toward CO2 reduction and O2 reduction reactions

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The article was published on 2021-10-14 and is currently open access. It has received 36 citations till now. The article focuses on the topics: Electrocatalyst & Carbon.

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Journal ArticleDOI

Rational Regulation of Co-N-C Coordination for High-Efficiency Generation of 1O2 toward Nearly 100% Selective Degradation of Organic Pollutants.

TL;DR: In this paper , a simple strategy to regulate the components and coordination of Co-N-C catalysts at the atomic level by adjusting the Zn/Co ratio of bimetallic zeolitic imidazolate frameworks (ZnxCo1-ZIFs) was developed.

Hydrophilic hierarchical nitrogen-doped carbonnanocages for ultrahigh supercapacitive performance

TL;DR: The synergism of large surface area, multiscale porous structure, and good conductivity endows hierarchical carbon nanocages with high-level supercapacitive performances as mentioned in this paper.
Journal ArticleDOI

Coadsorption of NRR and HER Intermediates Determines the Performance of Ru-N<sub>4</sub> toward Electrocatalytic N<sub>2</sub> Reduction

TL;DR: In this article , the authors reveal the mechanism, thermodynamics and kinetics determining the HER/NRR efficiency on the state-of-the-art NRR electrocatalyst, Ru-N4, using grand canonical ensemble density functional theory (GCE-DFT).
Posted ContentDOI

Coadsorption of NRR and HER intermediates determines the performance of Ru-N4 towards electrocatalytic N2 reduction

TL;DR: In this paper , the authors reveal the mechanism, thermodynamics and kinetics determining the HER/NRR efficiency on the state-of-the-art NRR electrocatalyst, Ru-N4, using grand canonical ensemble density functional theory (GCE-DFT).
Journal ArticleDOI

Ultrathin Nanosheet Assembled Multishelled Superstructures for Photocatalytic CO<sub>2</sub> Reduction

- 04 Mar 2022 - 
TL;DR: In this article , a general in situ topological transformation strategy for the integration of uniform Co-based species to fabricate a series of multishelled superstructures (MSSs) for CO2 photocatalytic conversion is demonstrated.
References
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Journal ArticleDOI

Structure and mobility of metal clusters in MOFs: Au, Pd, and AuPd clusters in MOF-74.

TL;DR: This work presents the first theoretical investigation of Au-, Pd-, and AuPd-supported clusters in a MOF, namely MOF-74, and combines density functional theory (DFT) calculations with a genetic algorithm (GA) to reliably predict the structure of the adsorbed clusters.
Journal ArticleDOI

Metastable Rock Salt Oxide-Mediated Synthesis of High-Density Dual-Protected M@NC for Long-Life Rechargeable Zinc-Air Batteries with Record Power Density.

TL;DR: Systematic in-situ temperature-dependent characterizations as well as DFT modelling rationalize the rocksalt-oxide mediated process and its indispensable role in achieving high-density nanosized M@NC, which opens up opportunities for designing efficient electrocatalysts towards high-performance Zn-air batteries and diverse energy devices.
Journal ArticleDOI

Fe-MOF-Derived Efficient ORR/OER Bifunctional Electrocatalyst for Rechargeable Zinc-Air Batteries.

TL;DR: The efficient ORR/OER bifunctional electrocatalytic activity and long-term durability of the obtained composite might be attributed to the characteristic honeycomb-like porous structure with sufficient accessible active sites, the synergistic effect of FeS and Fe3C, and the N,S co-doped porous carbon, which provides a promising application potential for portable electronic Zn-air battery related devices.
Journal ArticleDOI

Robust Interface Ru Centers for High-Performance Acidic Oxygen Evolution.

TL;DR: Density functional theory (DFT) calculations reveal that the interface Ru centers between theRuO2 and the graphene can break the classic scaling relationships between the free energies of HOO* and HO* to reduce the limiting potential, rendering an enhancement in the intrinsic OER activity and the resistance to over-oxidation and corrosion for RuO2.
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