Human–Machine Collaboration for Accelerated Discovery of Promising Oxygen Evolution Electrocatalysts with On-Demand Elements

Sakaushi, Ken; Hoisang, Watcharaporn; Tamura, Ryo

doi:10.1021/acscentsci.3c01009

ACS Cent. Sci.

2023

DOI: 10.1021/acscentsci.3c01009

|View full text |Cite

Human–Machine Collaboration for Accelerated Discovery of Promising Oxygen Evolution Electrocatalysts with On-Demand Elements

Ken Sakaushi,

Watcharaporn Hoisang,

Ryo Tamura

Help me understand this report

Search citation statements

Order By: Relevance

Paper Sections

Select...

Citation Types

Supporting

Mentioning

Contrasting

Year Published

2024

Publication Types

Select...

Article5

Relationship

Self Cite0

Independent5

Authors

Journals

Cited by 5 publications

References 57 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

Spontaneous‐Spin‐Polarized 2D π‐d Conjugated Frameworks Towards Enhanced Oxygen Evolution Kinetics

Lee,

Maeda,

Kuo

et al. 2024

Small

View full text Add to dashboard Cite

Alternative strategies to design sustainable‐element‐based electrocatalysts enhancing oxygen evolution reaction (OER) kinetics are demanded to develop affordable yet high‐performance water‐electrolyzers for green hydrogen production. Here, it is demonstrated that the spontaneous‐spin‐polarized 2D π‐d conjugated framework comprising abundant elements of nickel and iron with a ratio of Ni:Fe = 1:4 with benzenehexathiol linker (BHT) can improve OER kinetics by its unique electronic property. Among the bimetallic NiFex:y‐BHTs with various ratios with Ni:Fe = x:y, the NiFe1:4‐BHT exhibits the highest OER activity. The NiFe1:4‐BHT shows a specific current density of 140 A g−1 at the overpotential of 350 mV. This performance is one of the best activities among state‐of‐the‐art non‐precious OER electrocatalysts and even comparable to that of the platinum‐group‐metals of RuO2 and IrO2. The density functional theory calculations uncover that introducing Ni into the homometallic Fe‐BHT (e.g., Ni:Fe = 0:1) can emerge a spontaneous‐spin‐polarized state. Thus, this material can achieve improved OER kinetics with spin‐polarization which previously required external magnetic fields. This work shows that a rational design of 2D π‐d conjugated frameworks can be a powerful strategy to synthesize promising electrocatalysts with abundant elements for a wide spectrum of next‐generation energy devices.

show abstract

Spontaneous‐Spin‐Polarized 2D π‐d Conjugated Frameworks Towards Enhanced Oxygen Evolution Kinetics

Lee,

Maeda,

Kuo

et al. 2024

Small

View full text Add to dashboard Cite

show abstract

Doping-driven dual heterogeneous interfacial structures boosting the durability of industry-compatible water splitting at high current density

Yang,

Zhou,

Kong

et al. 2024

Sci. China Chem.

View full text Add to dashboard Cite

Screening Multicomponent Alloys Using Evidence Theory and High-Throughput DFT Calculations for C2-Selective eCO2RR

Kuroda,

Ibe,

Otani

2024

J. Phys. Chem. C

View full text Add to dashboard Cite

In this paper, we propose a strategy for screening multicomponent alloys using evidence theory and high-throughput density functional theory calculations. We demonstrate an electrochemical C2-selective CO 2 reduction reaction (eCO2RR) on multicomponent alloys as a practical study. The proposed strategy can screen potential C2-selective alloys from enormous element combinations without complicated structural descriptors or a complete data set. Therefore, this strategy is expected to effectively design multicomponent alloys with vast element combinations.

show abstract

scite is a Brooklyn-based organization that helps researchers better discover and understand research articles through Smart Citations–citations that display the context of the citation and describe whether the article provides supporting or contrasting evidence. scite is used by students and researchers from around the world and is funded in part by the National Science Foundation and the National Institute on Drug Abuse of the National Institutes of Health.

Contact Info

customersupport@researchsolutions.com

10624 S. Eastern Ave., Ste. A-614

Henderson, NV 89052, USA

This site is protected by reCAPTCHA and the Google Privacy Policy and Terms of Service apply.

Blog Terms and Conditions API Terms Privacy Policy Contact Cookie Preferences Do Not Sell or Share My Personal Information

Made with 💙 for researchers

Part of the Research Solutions Family.

Human–Machine Collaboration for Accelerated Discovery of Promising Oxygen Evolution Electrocatalysts with On-Demand Elements

Cited by 5 publications

References 57 publications

Spontaneous‐Spin‐Polarized 2D π‐d Conjugated Frameworks Towards Enhanced Oxygen Evolution Kinetics

Spontaneous‐Spin‐Polarized 2D π‐d Conjugated Frameworks Towards Enhanced Oxygen Evolution Kinetics

Doping-driven dual heterogeneous interfacial structures boosting the durability of industry-compatible water splitting at high current density

Screening Multicomponent Alloys Using Evidence Theory and High-Throughput DFT Calculations for C2-Selective eCO2RR

Contact Info

Product

Resources

About