A Linear Response DFT+U Study of Trends in the Oxygen Evolution Activity of Transition Metal Rutile Dioxides

2015 ◽  
Vol 119 (9) ◽  
pp. 4827-4833 ◽  
Author(s):  
Zhongnan Xu ◽  
Jan Rossmeisl ◽  
John R. Kitchin
Keyword(s):  
Transition Metal ◽  
Oxygen Evolution ◽  
Linear Response

Graphene-Induced Growth of Co3O4 Nanoplates with Modulable Oxygen Vacancies for Improved OER Properties

CrystEngComm ◽  
2021 ◽  
Author(s):  
Xinheng Li ◽  
Lei Qi ◽  
Mei Wang
Keyword(s):  
Transition Metal ◽  
Metal Oxide ◽  
Hydrothermal Treatment ◽  
Oxygen Evolution ◽  
Oxygen Evolution Reaction ◽  
Oxygen Vacancies ◽  
Transition Metal Oxide ◽  
Oxide Hydroxide

Transition metal oxide/ hydroxide is intensively studied for oxygen evolution reaction (OER). Herein, graphene-induced growth of Co3O4 nanoplates with modulable oxygen vacancies via hydrothermal treatment is reported. With the increase...

scholarly journals The Effect of Iron Impurities on Transition Metal Catalysts for the Oxygen Evolution Reaction in Alkaline Environment: Activity Mediators or Active Sites?

2020 ◽  
Author(s):  
Ioannis Spanos ◽  
Justus Masa ◽  
Aleksandar Zeradjanin ◽  
Robert Schlögl
Keyword(s):  
Transition Metal ◽  
Oxygen Evolution ◽  
Oxygen Evolution Reaction ◽  
Active Sites ◽  
Water Electrolysis ◽  
Metal Catalysts ◽  
Transition Metal Catalysts ◽  
Alkaline Water Electrolysis ◽  
Co Catalysts ◽  
Model Transition

AbstractThere is an ongoing debate on elucidating the actual role of Fe impurities in alkaline water electrolysis, acting either as reactivity mediators or as co-catalysts through synergistic interaction with the main catalyst material. This perspective summarizes the most prominent oxygen evolution reaction (OER) mechanisms mostly for Ni-based oxides as model transition metal catalysts and highlights the effect of Fe incorporation on the catalyst surface in the form of impurities originating from the electrolyte or co-precipitated in the catalyst lattice, in modulating the OER reaction kinetics, mechanism and stability. Graphic Abstract

Oxygen-evolution reactions (OER) on transition-metal-doped Fe3Co(PO4)4 iron-phosphate surfaces: a first-principles study

2021 ◽  
Author(s):  
Yogeshwaran Krishnan ◽  
Sateesh Bandaru ◽  
Niall J. English
Keyword(s):  
Density Functional Theory ◽  
Transition Metal ◽  
Oxygen Evolution ◽  
First Principles ◽  
Density Functional ◽  
Iron Phosphate ◽  
Functional Theory ◽  
First Principles Study ◽  
Metal Doped ◽  
Catalyst Surfaces

A series of transition-metal-doped Fe1−xMxCo(PO4)4(010) and Fe3Co1−xMx(PO4)4(010) electro-catalyst surfaces (with M = Mn, Os, Ru, Rh and Ir) have been modelled via density-functional theory (DFT) to gauge their oxygen-evolution reactions (OER).

Variation of Electrocatalytic Activity of Isostructural Oxides Sr2LaFeMnO7 and Sr2LaCoMnO7 for Hydrogen and Oxygen-Evolution Reactions

2021 ◽  
Author(s):  
Chandana C.W. Kananke-Gamage ◽  
Farshid Ramezanipour
Keyword(s):  
Magnetic Properties ◽  
Transition Metal ◽  
Charge Transport ◽  
Oxygen Evolution ◽  
Electrocatalytic Activity ◽  
Electronic Configuration

The effect of the electronic configuration of transition metal on electrocatalytic activity, charge transport, and magnetic properties is demonstrated through investigation of Sr2LaFeMnO7 and Sr2LaCoMnO7. The two compounds are isostructural...

The oxygen evolution reaction enabled by transition metal phosphide and chalcogenide pre-catalysts with dynamic changes

2019 ◽  
Vol 55 (60) ◽  
pp. 8744-8763 ◽  
Author(s):  
Wei Li ◽  
Dehua Xiong ◽  
Xuefei Gao ◽  
Lifeng Liu
Keyword(s):  
Transition Metal ◽  
Oxygen Evolution ◽  
Oxygen Evolution Reaction ◽  
Dynamic Changes ◽  
Metal Phosphide ◽  
Electrocatalytic Performance ◽  
Metal Phosphides ◽  
Compositional Changes ◽  
Transition Metal Phosphide ◽  
Transition Metal Phosphides

Dynamic morphological, structural and compositional changes will occur when transition metal phosphides and chalcogenides are used to catalyze the oxygen evolution reaction, which can substantially enhance their electrocatalytic performance.

scholarly journals Manipulating the Architecture of Atomically Thin Transition Metal (Hydr)oxides for Enhanced Oxygen Evolution Catalysis

ACS Nano ◽  
2018 ◽  
Vol 12 (2) ◽  
pp. 1878-1886 ◽  
Author(s):  
Yuhai Dou ◽  
Lei Zhang ◽  
Jiantie Xu ◽  
Chun-Ting He ◽  
Xun Xu ◽  
...  
Keyword(s):  
Transition Metal ◽  
Oxygen Evolution

Electrochemical tuning of olivine-type lithium transition-metal phosphates as efficient water oxidation catalysts

2015 ◽  
Vol 8 (6) ◽  
pp. 1719-1724 ◽  
Author(s):  
Yayuan Liu ◽  
Haotian Wang ◽  
Dingchang Lin ◽  
Chong Liu ◽  
Po-Chun Hsu ◽  
...  
Keyword(s):  
Catalytic Activity ◽  
Transition Metal ◽  
Oxygen Evolution ◽  
Water Oxidation ◽  
Oxidation Catalysts ◽  
Metal Phosphates ◽  
Electrochemical Tuning

Electrochemical lithium tuning of olivine-type lithium transition metal phosphates results in greatly enhanced oxygen evolution catalytic activity.

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