scholarly journals Ab Initio Thermodynamics of Iridium Surface Oxidation and Oxygen Evolution Reaction

2018 ◽  
Vol 122 (51) ◽  
pp. 29350-29358 ◽  
Author(s):  
Konstantin Klyukin ◽  
Alexandra Zagalskaya ◽  
Vitaly Alexandrov
Keyword(s):  
Ab Initio ◽  
Oxygen Evolution ◽  
Oxygen Evolution Reaction ◽  
Surface Oxidation

scholarly journals Stainless steel made to rust: a robust water-splitting catalyst with benchmark characteristics

2015 ◽  
Vol 8 (9) ◽  
pp. 2685-2697 ◽  
Author(s):  
Helmut Schäfer ◽  
Shamaila Sadaf ◽  
Lorenz Walder ◽  
Karsten Kuepper ◽  
Stephan Dinklage ◽  
...  
Keyword(s):  
Stainless Steel ◽  
Water Splitting ◽  
Oxygen Evolution ◽  
Oxygen Evolution Reaction ◽  
Surface Oxidation

Stainless steel was upon electro-initiated surface oxidation converted in an oxygen evolution reaction (OER) electrocatalyst with benchmark properties.

ChemInform Abstract: Metallic Co4N Porous Nanowire Arrays Activated by Surface Oxidation as Electrocatalysts for the Oxygen Evolution Reaction.

ChemInform ◽  
2016 ◽  
Vol 47 (7) ◽  
pp. no-no
Author(s):  
Pengzuo Chen ◽  
Kun Xu ◽  
Zhiwei Fang ◽  
Yun Tong ◽  
Junchi Wu ◽  
...  
Keyword(s):  
Oxygen Evolution ◽  
Oxygen Evolution Reaction ◽  
Surface Oxidation ◽  
Nanowire Arrays

Metallic Co4N Porous Nanowire Arrays Activated by Surface Oxidation as Electrocatalysts for the Oxygen Evolution Reaction

2015 ◽  
Vol 54 (49) ◽  
pp. 14710-14714 ◽  
Author(s):  
Pengzuo Chen ◽  
Kun Xu ◽  
Zhiwei Fang ◽  
Yun Tong ◽  
Junchi Wu ◽  
...  
Keyword(s):  
Oxygen Evolution ◽  
Oxygen Evolution Reaction ◽  
Surface Oxidation ◽  
Nanowire Arrays

Design of Highly Active Perovskite Oxides for Oxygen Evolution Reaction by Combining Experimental and ab Initio Studies

ACS Catalysis ◽  
2015 ◽  
Vol 5 (7) ◽  
pp. 4337-4344 ◽  
Author(s):  
Min Ho Seo ◽  
Hey Woong Park ◽  
Dong Un Lee ◽  
Moon Gyu Park ◽  
Zhongwei Chen
Keyword(s):  
Ab Initio ◽  
Oxygen Evolution ◽  
Oxygen Evolution Reaction ◽  
Perovskite Oxides ◽  
Highly Active

scholarly journals Ab Initio Thermodynamics of Iridium Surface Oxidation and Oxygen Evolution Reaction

2018 ◽  
Author(s):  
Konstantin Klyukin ◽  
Alexandra Zagalskaya ◽  
Vitaly Alexandrov
Keyword(s):  
Catalytic Activity ◽  
Oxygen Evolution ◽  
Oxygen Evolution Reaction ◽  
Density Functional ◽  
Surface Oxidation ◽  
Adsorbed Water ◽  
Nucleophilic Attack ◽  
The Density Functional Theory ◽  
Stability Maps ◽  
Electrochemical Cycling

<p>Iridium-based materials are considered as state-of-the-art electrocatalysts for oxygen evolution reaction (OER), however, their stability and catalytic activity greatly depend on surface-state changes induced by electrochemical cycling. To better understand the behavior of the low-index Ir surfaces in an electrochemical environment, we perform a systematic thermodynamic analysis by means of the density functional theory (DFT) calculations. Based on computed surface energies of the Ir(111), (110) and (100) facets as a function of applied electrode potential and coverage of adsorbed water species we determine stability maps and predict equilibrium shapes of Ir nanoparticles. Our calculations also show that metastable oxide precursors formed at the initial stages of Ir surface oxidation are responsible for enhanced catalytic activity towards OER as compared to metal surfaces covered by oxygen adsorbates and thick-oxide films. Such enhancement occurs not only due to the modified thermodynamic stability of OER intermediates, but also because thin-oxide layers may display the more energetically favorable I2M (interaction of two M-O units) rather than WNA (water nucleophilic attack) OER mechanism.</p><br>

Metallic Co4N Porous Nanowire Arrays Activated by Surface Oxidation as Electrocatalysts for the Oxygen Evolution Reaction

2015 ◽  
Vol 127 (49) ◽  
pp. 14923-14927 ◽  
Author(s):  
Pengzuo Chen ◽  
Kun Xu ◽  
Zhiwei Fang ◽  
Yun Tong ◽  
Junchi Wu ◽  
...  
Keyword(s):  
Oxygen Evolution ◽  
Oxygen Evolution Reaction ◽  
Surface Oxidation ◽  
Nanowire Arrays

Study on the Mechanism of the Anodic Oxidation of PAN-Based Carbon Fibers by Cyclic Voltammetry

2013 ◽  
Vol 774-776 ◽  
pp. 832-835
Author(s):  
Zhi Tao Lin ◽  
Bo Zhu ◽  
Xue Lin ◽  
Yang Chen ◽  
Yu Zhen Liu
Keyword(s):  
Oxygen Evolution ◽  
Anodic Oxidation ◽  
Carbon Fibers ◽  
Oxygen Evolution Reaction ◽  
Surface Oxidation ◽  
Cyclic Voltammograms ◽  
Affect Intensity ◽  
Activated Oxygen ◽  
Alkaline Electrolytes ◽  
Higher Temperature

The cyclic voltammograms (CVs) of polyacrylonitrile (PAN)-based carbon fibers (CFs) were measured in different electrolyte aqueous solutions, temperatures and concentrations. By analyzing the CVs, the mechanism of the anodic oxidation of PANbased CFs was investigated. The results show that the anodic oxidation of CFs is virtually the activated oxygen formed by oxygen evolution reaction of water reacts with the surface carbon of CFs. Although there are more activated oxygen formed in alkaline electrolytes, surface oxides of CFs are easier to be formed in acidic electrolytes. The higher temperature can make the oxygen evolution reaction of water and surface oxidation of CFs be easier and more violent. The variation in electrolyte concentration can affect intensity of the two reactions, whereas it does not affect the difficulty of the reactions.

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