Synergistic effect of p-type and n-type dopants in semiconductors for efficient electrocatalytic water splitting

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388955%3A_____%2F22%3A00564983" target="_blank" >RIV/61388955:_____/22:00564983 - isvavai.cz</a>

Výsledek na webu

<a href="https://hdl.handle.net/11104/0336555" target="_blank" >https://hdl.handle.net/11104/0336555</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1039/d2sc04585k" target="_blank" >10.1039/d2sc04585k</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Synergistic effect of p-type and n-type dopants in semiconductors for efficient electrocatalytic water splitting

Popis výsledku v původním jazyce

The main challenge for acidic water electrolysis is the lack of active and stable oxygen evolution catalysts based on abundant materials, which are globally scalable. Iridium oxide is the only material which is active and stable. However, Ir is extremely rare. While both active materials and stable materials exist, those that are active are usually not stable and vice versa. In this work, we present a new design strategy for activating stable materials originally deemed unsuitable due to a semiconducting nature and wide band gap energy. These stable semiconductors cannot change oxidation state under the relevant reaction conditions. Based on DFT calculations, we find that adding an n-type dopant facilitates oxygen binding on semiconductor surfaces. The binding is, however, strong and prevents further binding or desorption of oxygen. By combining both n-type and p-type dopants, the reactivity can be tuned so that oxygen can be adsorbed and desorbed under reaction conditions. The tuning results from the electrostatic interactions between the dopants as well as between the dopants and the binding site. This concept is experimentally verified on TiO2 by co-substituting with different pairs of n- and p-type dopants. Our findings suggest that the co-substitution approach can be used to activate stable materials, with no intrinsic oxygen evolution activity, to design new catalysts for acid water electrolysis.

Název v anglickém jazyce

Synergistic effect of p-type and n-type dopants in semiconductors for efficient electrocatalytic water splitting

Popis výsledku anglicky

The main challenge for acidic water electrolysis is the lack of active and stable oxygen evolution catalysts based on abundant materials, which are globally scalable. Iridium oxide is the only material which is active and stable. However, Ir is extremely rare. While both active materials and stable materials exist, those that are active are usually not stable and vice versa. In this work, we present a new design strategy for activating stable materials originally deemed unsuitable due to a semiconducting nature and wide band gap energy. These stable semiconductors cannot change oxidation state under the relevant reaction conditions. Based on DFT calculations, we find that adding an n-type dopant facilitates oxygen binding on semiconductor surfaces. The binding is, however, strong and prevents further binding or desorption of oxygen. By combining both n-type and p-type dopants, the reactivity can be tuned so that oxygen can be adsorbed and desorbed under reaction conditions. The tuning results from the electrostatic interactions between the dopants as well as between the dopants and the binding site. This concept is experimentally verified on TiO2 by co-substituting with different pairs of n- and p-type dopants. Our findings suggest that the co-substitution approach can be used to activate stable materials, with no intrinsic oxygen evolution activity, to design new catalysts for acid water electrolysis.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

10403 - Physical chemistry

Projekt

<a href="/cs/project/GA21-03037S" target="_blank" >GA21-03037S: Kontrola selektivity anodických reakcí v procesech vylučování chlóru a výroby chlorečnanu</a><br>

Návaznosti

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Rok uplatnění

2022

Kód důvěrnosti údajů

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

Název periodika

Chemical Science

ISSN

2041-6520

e-ISSN

2041-6539

Svazek periodika

13

Číslo periodika v rámci svazku

46

Stát vydavatele periodika

GB - Spojené království Velké Británie a Severního Irska

Počet stran výsledku

14

Strana od-do

13879-13892

Kód UT WoS článku

000885568400001

EID výsledku v databázi Scopus

2-s2.0-85142653279