Targeted design of α-MnO2 based catalysts for oxygen reduction

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388955%3A_____%2F16%3A00455794" target="_blank" >RIV/61388955:_____/16:00455794 - isvavai.cz</a>

Výsledek na webu

<a href="http://dx.doi.org/10.1016/j.electacta.2016.01.070" target="_blank" >http://dx.doi.org/10.1016/j.electacta.2016.01.070</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1016/j.electacta.2016.01.070" target="_blank" >10.1016/j.electacta.2016.01.070</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Targeted design of α-MnO2 based catalysts for oxygen reduction

Popis výsledku v původním jazyce

The paper focuses on theoretical and experimental aspects of an oxide surface optimization for oxygen reduction reaction (ORR). Various doped α-MnO2 based electrocatalysts were prepared by microwave-assisted hydrothermal synthesis and electrochemically characterized to validate density functional theory (DFT) based predictions of the oxidation state and local structure effects on the catalytic activity of α-MnO2 catalysts in ORR. Both theory and experiments conclude that the highest activity in ORR is to be expected in the case of clustered Mn3+ sites which yield activity comparable with that of the polycrystalline Pt. These active sites have to be formed under in-operando conditions and their formation is hindered in doped α-MnO2 catalysts. The activity of the other conceivable active sites based on non-clustered Mn3+ or Mn4+ is inferior to that of clustered Mn3+. The activation of Mn3+ or Mn4+ based active sites leads to a shift in selectivity of the ORR process towards 2 electron formation of hydrogen peroxide. nn

Název v anglickém jazyce

Targeted design of α-MnO2 based catalysts for oxygen reduction

Popis výsledku anglicky

The paper focuses on theoretical and experimental aspects of an oxide surface optimization for oxygen reduction reaction (ORR). Various doped α-MnO2 based electrocatalysts were prepared by microwave-assisted hydrothermal synthesis and electrochemically characterized to validate density functional theory (DFT) based predictions of the oxidation state and local structure effects on the catalytic activity of α-MnO2 catalysts in ORR. Both theory and experiments conclude that the highest activity in ORR is to be expected in the case of clustered Mn3+ sites which yield activity comparable with that of the polycrystalline Pt. These active sites have to be formed under in-operando conditions and their formation is hindered in doped α-MnO2 catalysts. The activity of the other conceivable active sites based on non-clustered Mn3+ or Mn4+ is inferior to that of clustered Mn3+. The activation of Mn3+ or Mn4+ based active sites leads to a shift in selectivity of the ORR process towards 2 electron formation of hydrogen peroxide. nn

Druh

J_x - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)

CEP obor

CG - Elektrochemie

OECD FORD obor

—

Projekt

—

Návaznosti

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Rok uplatnění

2016

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název periodika

Electrochimica acta

ISSN

0013-4686

e-ISSN

—

Svazek periodika

191

Číslo periodika v rámci svazku

FEB 2016

Stát vydavatele periodika

GB - Spojené království Velké Británie a Severního Irska

Počet stran výsledku

10

Strana od-do

452-461

Kód UT WoS článku

000371143200053

EID výsledku v databázi Scopus

2-s2.0-84955465440