Resolving the controversy about the band alignment between rutile and anatase: The role of OH-/H+ adsorption

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388955%3A_____%2F15%3A00447847" target="_blank" >RIV/61388955:_____/15:00447847 - isvavai.cz</a>

Výsledek na webu

<a href="http://dx.doi.org/10.1021/acs.jpcc.5b04821" target="_blank" >http://dx.doi.org/10.1021/acs.jpcc.5b04821</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1021/acs.jpcc.5b04821" target="_blank" >10.1021/acs.jpcc.5b04821</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Resolving the controversy about the band alignment between rutile and anatase: The role of OH-/H+ adsorption

Popis výsledku v původním jazyce

The synergic effect of mixing rutile (R) and anatase (A) crystals in photocatalysis is often attributed to a staggered alignment of the band structures, but it is widely disputed whether the conduction band edge of rutile or that of anatase is higher. Photoelectron spectroscopy (PES) supports the former, and flat-band potential (FBP) measurements the latter. Theoretical alignment of the bulk band structures as well as calculated offsets across actual interfaces support the PES data. The theoretical study presented here shows that the FBP data can be explained by taking into account the adsorption of OH and H+ ions in the electrolyte solution. We conclude that, in the case of nanopowders applied in photocatalysis, the dipole layer created by surface adsorption and the one at the R/A interface both have an influence on the alignment, and the end result may change from experiment to experiment.

Název v anglickém jazyce

Resolving the controversy about the band alignment between rutile and anatase: The role of OH-/H+ adsorption

Popis výsledku anglicky

The synergic effect of mixing rutile (R) and anatase (A) crystals in photocatalysis is often attributed to a staggered alignment of the band structures, but it is widely disputed whether the conduction band edge of rutile or that of anatase is higher. Photoelectron spectroscopy (PES) supports the former, and flat-band potential (FBP) measurements the latter. Theoretical alignment of the bulk band structures as well as calculated offsets across actual interfaces support the PES data. The theoretical study presented here shows that the FBP data can be explained by taking into account the adsorption of OH and H+ ions in the electrolyte solution. We conclude that, in the case of nanopowders applied in photocatalysis, the dipole layer created by surface adsorption and the one at the R/A interface both have an influence on the alignment, and the end result may change from experiment to experiment.

Druh

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

CEP obor

CG - Elektrochemie

OECD FORD obor

—

Projekt

<a href="/cs/project/GA13-07724S" target="_blank" >GA13-07724S: Materiálové inženýrství pro inovativní Graetzelovy solární články</a><br>

Návaznosti

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Rok uplatnění

2015

Kód důvěrnosti údajů

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

Název periodika

Journal of Physical Chemistry C

ISSN

1932-7447

e-ISSN

—

Svazek periodika

119

Číslo periodika v rámci svazku

38

Stát vydavatele periodika

US - Spojené státy americké

Počet stran výsledku

7

Strana od-do

21952-21958

Kód UT WoS článku

000361921600023

EID výsledku v databázi Scopus

2-s2.0-84942437055