scholarly journals Discovery of Acid-Stable Oxygen Evolution Catalysts: High-Throughput Computational Screening of Equimolar Bimetallic Oxides

2020 ◽  
Vol 12 (34) ◽  
pp. 38256-38265 ◽  
Author(s):  
Seoin Back ◽  
Kevin Tran ◽  
Zachary W. Ulissi
Keyword(s):  
Oxygen Evolution ◽  
High Throughput ◽  
Computational Screening ◽  
Stable Oxygen ◽  
Acid Stable ◽  
Bimetallic Oxides

scholarly journals Discovery of Acid-Stable Oxygen Evolution Catalysts : High-throughput Computational Screening of Equimolar Bimetallic Oxides

2020 ◽  
Author(s):  
Seoin Back ◽  
Kevin Tran ◽  
Zachary Ulissi
Keyword(s):  
Oxygen Evolution ◽  
High Throughput ◽  
High Throughput Screening ◽  
Noble Metals ◽  
Cost Effective ◽  
Oxide Catalysts ◽  
Computational Screening ◽  
Energy Conversion Systems ◽  
Acid Stable ◽  
Bimetallic Oxides

Discovering acid-stable, cost-effective and active catalysts for oxygen evolution reaction (OER) is critical since this reaction is bottlenecking many electrochemical energy conversion systems. Current systems use extremely expensive iridium oxide catalysts. Identifying Ir-free or catalysts with reduced Ir-composition has been suggested as goals, but no systematic strategy to discover such catalysts has been reported. In this work, we performed high-throughput computational screening to investigate bimetalic oxide catalysts with space groups derived from those of IrO$_x$, identified promising OER catalysts predicted to satisfy all the desired properties: Co-Ir, Fe-Ir and Mo-Ir bimetallic oxides. We find that for the given crystal structures explored, it is essential to include noble metals to maintain the acid-stability, although one-to-one mixing of noble and non-noble metal oxides could keep the materials survive under the acidic conditions. Based on the calculated results, we provide insights to efficiently perform future high-throughput screening to discover catalysts with desirable properties.

scholarly journals Discovery of Acid-Stable Oxygen Evolution Catalysts : High-throughput Computational Screening of Equimolar Bimetallic Oxides

2020 ◽  
Author(s):  
Seoin Back ◽  
Kevin Tran ◽  
Zachary Ulissi
Keyword(s):  
Oxygen Evolution ◽  
High Throughput ◽  
High Throughput Screening ◽  
Noble Metals ◽  
Cost Effective ◽  
Oxide Catalysts ◽  
Computational Screening ◽  
Energy Conversion Systems ◽  
Acid Stable ◽  
Bimetallic Oxides

Discovering acid-stable, cost-effective and active catalysts for oxygen evolution reaction (OER) is critical since this reaction is bottlenecking many electrochemical energy conversion systems. Current systems use extremely expensive iridium oxide catalysts. Identifying Ir-free or catalysts with reduced Ir-composition has been suggested as goals, but no systematic strategy to discover such catalysts has been reported. In this work, we performed high-throughput computational screening to investigate bimetalic oxide catalysts with space groups derived from those of IrO$_x$, identified promising OER catalysts predicted to satisfy all the desired properties: Co-Ir, Fe-Ir and Mo-Ir bimetallic oxides. We find that for the given crystal structures explored, it is essential to include noble metals to maintain the acid-stability, although one-to-one mixing of noble and non-noble metal oxides could keep the materials survive under the acidic conditions. Based on the calculated results, we provide insights to efficiently perform future high-throughput screening to discover catalysts with desirable properties.

scholarly journals High-Throughput Screening for Acid-Stable Oxygen Evolution Electrocatalysts in the (Mn–Co–Ta–Sb)O x Composition Space

2014 ◽  
Vol 6 (2) ◽  
pp. 229-236 ◽  
Author(s):  
Aniketa Shinde ◽  
Ryan J. R. Jones ◽  
Dan Guevarra ◽  
Slobodan Mitrovic ◽  
Natalie Becerra-Stasiewicz ◽  
...  
Keyword(s):  
Oxygen Evolution ◽  
High Throughput ◽  
High Throughput Screening ◽  
Composition Space ◽  
Stable Oxygen ◽  
Acid Stable

scholarly journals Parallel Electrochemical Treatment System and Application for Identifying Acid-Stable Oxygen Evolution Electrocatalysts

2015 ◽  
Vol 17 (2) ◽  
pp. 71-75 ◽  
Author(s):  
Ryan J. R. Jones ◽  
Aniketa Shinde ◽  
Dan Guevarra ◽  
Chengxiang Xiang ◽  
Joel A. Haber ◽  
...  
Keyword(s):  
Oxygen Evolution ◽  
Electrochemical Treatment ◽  
Treatment System ◽  
Stable Oxygen ◽  
Acid Stable

Universal Screening Strategy for Accelerated Design of Superior Oxygen Evolution/Reduction Electrocatalysts

2021 ◽  
Author(s):  
Dong Yeon Kim ◽  
Miran Ha ◽  
Kwang S. Kim
Keyword(s):  
Oxygen Evolution ◽  
Computational Methods ◽  
High Throughput ◽  
Universal Screening ◽  
Screening Strategy ◽  
Reaction Intermediates ◽  
Vast Amount ◽  
Computational Screening

Despite advanced computational methods, it is not practical to utilize high-throughput computational screening from a vast amount of candidates for multi-step reactions due to intercorrelation between reaction intermediates. However, we...

Hierarchical lead grid for highly stable oxygen evolution in acidic water at high temperature

2021 ◽  
Vol 493 ◽  
pp. 229635
Author(s):  
Fengjuan Xue ◽  
Shuai Kang ◽  
Yujie Dai ◽  
Tinghua Li ◽  
Pei Kang Shen ◽  
...  
Keyword(s):  
High Temperature ◽  
Oxygen Evolution ◽  
Acidic Water ◽  
Stable Oxygen

Interfacing RuO2 with Pt to induce efficient charge transfer from Pt to RuO2 for highly efficient and stable oxygen evolution under acidic media

2021 ◽  
Author(s):  
Taehyun Kwon ◽  
Heesu Yang ◽  
Minki Jun ◽  
Taekyung Kim ◽  
Jinwhan Joo ◽  
...  
Keyword(s):  
Charge Transfer ◽  
Oxygen Evolution ◽  
Oxygen Evolution Reaction ◽  
Acidic Media ◽  
Highly Efficient ◽  
Efficient Charge ◽  
Stable Oxygen ◽  
The Stability

The oxygen evolution reaction (OER) requires a large overpotential which undermines the stability of electrocatalysts, typically IrOx or RuOx. RuOx is particularly vulnerable to high overpotential in acidic media, due...

Cathodic Corrosion Activated Fe-based Nanoglass as Highly-Active and -Stable Oxygen Evolution Catalyst for Water Splitting

2021 ◽  
Author(s):  
Kaiyao Wu ◽  
Fei Chu ◽  
Yuying Meng ◽  
Kaveh Edalati ◽  
Qingsheng Gao ◽  
...  
Keyword(s):  
Water Splitting ◽  
Oxygen Evolution ◽  
Oxygen Evolution Reaction ◽  
Amorphous Alloys ◽  
Precious Metal ◽  
Active Sites ◽  
Metal Free ◽  
Highly Active ◽  
Stable Oxygen ◽  
Surface Active

Transition metal-based amorphous alloys have attracted increasing attention as precious-metal-free electrocatalysts for oxygen evolution reaction (OER) of water splitting due to their high macro-conductivity and abundant surface active sites. However,...

Sign in / Sign up

Export Citation Format

Share Document