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Insight into the design of defect electrocatalysts: From electronic structure to adsorption energy

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TLDR
In this article, an overview of defect-decorated catalysts is presented, including defects in metal, carbon materials, transition metal compounds, and defect decorant catalysts.
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This article is published in Materials Today.The article was published on 2019-06-13. It has received 264 citations till now.

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A review on fundamentals for designing oxygen evolution electrocatalysts

TL;DR: This article summarized the recent progress in understanding OER mechanisms, which include the conventional adsorbate evolution mechanism (AEM) and lattice-oxygen-mediated mechanism (LOM) from both theoretical and experimental aspects, and introduced strategies to reduce overpotential.
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Operando Identification of the Dynamic Behavior of Oxygen Vacancy-Rich Co3O4 for Oxygen Evolution Reaction.

TL;DR: Insight is provided into the defect mechanism in Co3O4 for OER in a dynamic way by observing the surface dynamic evolution process of defective electrocatalysts and identifying the real active sites during the electrocatalysis process.
Journal ArticleDOI

Electrocatalysis for CO2 conversion: from fundamentals to value-added products

TL;DR: In this article, the authors present a rather comprehensive review of the recent research progress, in the view of associated value-added products upon selective electrocatalytic CO2 conversion.
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Defect Engineering for Fuel‐Cell Electrocatalysts

TL;DR: The latest advances in defective electrocatalysts for ORR and HOR/SMOR in fuel cells are scientifically and systematically summarized and the structure-activity relationships between defect engineering and electrocatalyst ability are illustrated by coupling experimental results and theoretical calculations.
Journal ArticleDOI

Active Site Engineering in Porous Electrocatalysts.

TL;DR: In the discussions, an attempt is made to highlight the advantages of porous electrocatalysts in multiobjective optimization of surface active sites including not only their density and accessibility but also their intrinsic activity.
References
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Journal ArticleDOI

Combining theory and experiment in electrocatalysis: Insights into materials design

TL;DR: A unified theoretical framework highlights the need for catalyst design strategies that selectively stabilize distinct reaction intermediates relative to each other, and opens up opportunities and approaches to develop higher-performance electrocatalysts for a wide range of reactions.
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Nitrogen-doped carbon nanotube arrays with high electrocatalytic activity for oxygen reduction.

TL;DR: It is reported that vertically aligned nitrogen-containing carbon nanotubes (VA-NCNTs) can act as a metal-free electrode with a much better electrocatalytic activity, long-term operation stability, and tolerance to crossover effect than platinum for oxygen reduction in alkaline fuel cells.
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Identification of active edge sites for electrochemical H2 evolution from MoS2 nanocatalysts.

TL;DR: The active site for hydrogen evolution, a reaction catalyzed by precious metals, on nanoparticulate molybdenum disulfide (MoS2) is determined by atomically resolving the surface of this catalyst before measuring electrochemical activity in solution.
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Improved Oxygen Reduction Activity on Pt3Ni(111) via Increased Surface Site Availability

TL;DR: It is demonstrated that the Pt3Ni( 111) surface is 10-fold more active for the ORR than the corresponding Pt(111) surface and 90-foldMore active than the current state-of-the-art Pt/C catalysts for PEMFC.
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Engineering the surface structure of MoS2 to preferentially expose active edge sites for electrocatalysis

TL;DR: This work engineer the surface structure of MoS(2) to preferentially expose edge sites to effect improved catalysis by successfully synthesizing contiguous large-area thin films of a highly ordered double-gyroid MoS (2) bicontinuous network with nanoscaled pores.
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