Enhanced Electrocatalytic Activity in GaSe and InSe Nanosheets: The Role of Surface Oxides

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216208%3A11320%2F20%3A10423827" target="_blank" >RIV/00216208:11320/20:10423827 - isvavai.cz</a>

Výsledek na webu

<a href="https://verso.is.cuni.cz/pub/verso.fpl?fname=obd_publikace_handle&handle=QvlB1f0nFH" target="_blank" >https://verso.is.cuni.cz/pub/verso.fpl?fname=obd_publikace_handle&handle=QvlB1f0nFH</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1002/adfm.202005466" target="_blank" >10.1002/adfm.202005466</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Enhanced Electrocatalytic Activity in GaSe and InSe Nanosheets: The Role of Surface Oxides

Popis výsledku v původním jazyce

Gallium selenide (GaSe) is a van der Waals semiconductor widely used for optoelectronic devices, whose performances are dictated by bulk properties, including band-gap energy. However, recent experimental observations that the exfoliation of GaSe into atomically thin layers enhances performances in electrochemistry and photocatalysis have opened new avenues for its applications in the fields of energy and catalysis. Here, it is demonstrated by surface-science experiments and density functional theory (DFT) that the oxidation of GaSe into Ga2O3, driven by Se vacancies and edge sites created in the exfoliation process, plays a pivotal role in catalytic processes. Specifically, both hydrogen evolution reaction (HER) and oxygen evolution reaction (OER) are energetically unfavorable in pristine GaSe, due to energy barriers of 1.9 and 5.7-7.4 eV, respectively. On the contrary, energy barriers are reduced concurrently with surface oxidation. Especially, the Heyrovsky step (H-ads + H+ + e(-) -&gt; H-2) of HER becomes energetically favorable only in sub-stoichiometric Ga2O2.97(-0.3 eV/H+). It is also discovered that the same mechanisms occur for the case of the parental compound indium selenide (InSe), thus ensuring the validity of the model for the broad class of III-VI layered semiconductors.

Název v anglickém jazyce

Enhanced Electrocatalytic Activity in GaSe and InSe Nanosheets: The Role of Surface Oxides

Popis výsledku anglicky

Gallium selenide (GaSe) is a van der Waals semiconductor widely used for optoelectronic devices, whose performances are dictated by bulk properties, including band-gap energy. However, recent experimental observations that the exfoliation of GaSe into atomically thin layers enhances performances in electrochemistry and photocatalysis have opened new avenues for its applications in the fields of energy and catalysis. Here, it is demonstrated by surface-science experiments and density functional theory (DFT) that the oxidation of GaSe into Ga2O3, driven by Se vacancies and edge sites created in the exfoliation process, plays a pivotal role in catalytic processes. Specifically, both hydrogen evolution reaction (HER) and oxygen evolution reaction (OER) are energetically unfavorable in pristine GaSe, due to energy barriers of 1.9 and 5.7-7.4 eV, respectively. On the contrary, energy barriers are reduced concurrently with surface oxidation. Especially, the Heyrovsky step (H-ads + H+ + e(-) -&gt; H-2) of HER becomes energetically favorable only in sub-stoichiometric Ga2O2.97(-0.3 eV/H+). It is also discovered that the same mechanisms occur for the case of the parental compound indium selenide (InSe), thus ensuring the validity of the model for the broad class of III-VI layered semiconductors.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

10305 - Fluids and plasma physics (including surface physics)

Projekt

<a href="/cs/project/LM2018116" target="_blank" >LM2018116: Laboratoř fyziky povrchů - Optická dráha pro výzkum materiálů</a><br>

Návaznosti

P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)<br>I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Rok uplatnění

2020

Kód důvěrnosti údajů

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

Název periodika

Advanced Functional Materials

ISSN

1616-301X

e-ISSN

—

Svazek periodika

30

Číslo periodika v rámci svazku

43

Stát vydavatele periodika

DE - Spolková republika Německo

Počet stran výsledku

11

Strana od-do

2005466

Kód UT WoS článku

000567837700001

EID výsledku v databázi Scopus

2-s2.0-85090789114