Two-dimensional tetragonal GaOI and InOI sheets: In-plane anisotropic optical properties and application to photocatalytic water splitting
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216208%3A11310%2F20%3A10403408" target="_blank" >RIV/00216208:11310/20:10403408 - isvavai.cz</a>
Result on the web
<a href="https://verso.is.cuni.cz/pub/verso.fpl?fname=obd_publikace_handle&handle=OkGpBW4DTY" target="_blank" >https://verso.is.cuni.cz/pub/verso.fpl?fname=obd_publikace_handle&handle=OkGpBW4DTY</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1016/j.cattod.2018.10.012" target="_blank" >10.1016/j.cattod.2018.10.012</a>
Alternative languages
Result language
angličtina
Original language name
Two-dimensional tetragonal GaOI and InOI sheets: In-plane anisotropic optical properties and application to photocatalytic water splitting
Original language description
Layered Bismuth oxyhalides have recently generated considerable interest in various fields, including photocatalysis. However, the properties of previously synthesized layered Group-IIIB oxyhalides (MOX; M = Ga, In, Tl, X = Cl, Br, I) remain unclear. Here, we systematically investigated the structure, electronic, optical, and photocatalytic properties of two-dimensional MOX nanosheets by density functional theory (DFT) using a hybrid functional. All MOX were predicted to be indirect gap semiconductors with band gaps ranging from 0.88 to 5.16 eV. Among these semiconductors, InOI and GaOI monolayers have the most favourable band gaps (2.22 and 2.04 eV, respectively) and band edge positions. Therefore, these monolayers are promising photocatalysts for water splitting. Furthermore, they show anisotropic visible-light absorption and electron-hole effective masses, which can effectively promote the migration and separation of photo-generated electron-hole pairs. Moreover, the band edge positions of InOI and GaOI can be shifted by strain to more suitable regions towards enhancing their photocatalytic activities, and their kinetic and thermal stability has also been confirmed. In conclusion, this study reports a new type of 2D materials suitable for photocatalytic water splitting.
Czech name
—
Czech description
—
Classification
Type
J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
—
OECD FORD branch
10403 - Physical chemistry
Result continuities
Project
<a href="/en/project/GBP106%2F12%2FG015" target="_blank" >GBP106/12/G015: Intelligent design of nanoporous adsorbents and catalysts</a><br>
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)
Others
Publication year
2020
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Catalysis Today
ISSN
0920-5861
e-ISSN
—
Volume of the periodical
340
Issue of the periodical within the volume
January
Country of publishing house
NL - THE KINGDOM OF THE NETHERLANDS
Number of pages
5
Pages from-to
178-182
UT code for WoS article
000491876500022
EID of the result in the Scopus database
2-s2.0-85055498424