Positive and Negative Effects of Dopants toward Electrocatalytic Activity of MoS2 and WS2: Experiments and Theory
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216305%3A26620%2F20%3APU138318" target="_blank" >RIV/00216305:26620/20:PU138318 - isvavai.cz</a>
Alternative codes found
RIV/61989592:15310/20:73604249 RIV/60461373:22310/20:43920379
Result on the web
<a href="https://pubs.acs.org/doi/abs/10.1021/acsami.0c00983" target="_blank" >https://pubs.acs.org/doi/abs/10.1021/acsami.0c00983</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1021/acsami.0c00983" target="_blank" >10.1021/acsami.0c00983</a>
Alternative languages
Result language
angličtina
Original language name
Positive and Negative Effects of Dopants toward Electrocatalytic Activity of MoS2 and WS2: Experiments and Theory
Original language description
Two-dimensional transition-metal dichalcogenides (TMDs) are lately in the scope within the scientific community owing to their exploitation as affordable catalysts for next-generation energy devices. Undoubtedly, only precise tailoring and control over the catalytic properties can ensure high efficiency and successful implementation of such devices in day-to-day practical utilization. However, contrary to theoretical predictions, systematic experimental work dealing with the doped materials and their impact to electrocatalysis are relatively underrated despite the considerable effect that it could bring into this field. Herein, we investigate the effect of four different dopants (i.e., Ti, V, Mn, and Fe) incorporated to both layered MoS2 and WS2 as solid-state solution toward their electrocatalytic performance through their evaluation as catalysts for oxygen reduction reaction (ORR) and hydrogen evolution reaction (HER). Our results pointed out that doping by Mn and Fe can enhance the electrocatalytic performance toward ORR, whereas doping by Ti and V revealed poor electrocatalytic effects (inhibition) compared to both undoped MoS2 and WS2. Surprisingly, none of the dopants contributed to the improvement of either MoS2 or WS2 toward HER activity. Therefore, in addition to the experimental data, density functional theory calculations were performed to further investigate the role of the dopants in the performance of MoS2 toward HER. According to these calculations, all dopants preferably occupied the edges of the crystal structure and thus could affect the electrocatalytic properties of the initial material. However, the observed Delta G values for hydrogen adsorption revealed that MoS2 is the best catalyst with a subsequent trend for doped materials following the less negative binding energies V < Ti < Mn < Fe, which was in good agreement with experimentally obtained overpotentials of the respective samples. This study thus elucidates the reasons for negative effect
Czech name
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Czech description
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Classification
Type
J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
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OECD FORD branch
21001 - Nano-materials (production and properties)
Result continuities
Project
Result was created during the realization of more than one project. More information in the Projects tab.
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
ACS applied materials & interfaces
ISSN
1944-8244
e-ISSN
1944-8252
Volume of the periodical
12
Issue of the periodical within the volume
18
Country of publishing house
US - UNITED STATES
Number of pages
10
Pages from-to
20383-20392
UT code for WoS article
000535170300025
EID of the result in the Scopus database
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