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AuthorAhmad I., Ayesh
Available date2022-02-14T07:44:33Z
Publication Date2022-05-31
Publication NamePhysica E: Low-dimensional Systems and Nanostructures
Identifierhttp://dx.doi.org/10.1016/j.physe.2022.115188
CitationAyesh, Ahmad I. "Investigation of NH3 adsorption on noble metal modified MoSe2." Physica E: Low-dimensional Systems and Nanostructures (2022): 115188.
ISSN13869477
URIhttps://www.sciencedirect.com/science/article/pii/S1386947722000510
URIhttp://hdl.handle.net/10576/26860
AbstractGas pollutants represent hazard for the quality of the ambient environment, thus, the development of sensitive and selective gas sensors is essential to monitor and maintain its decent quality. The adsorption of NH3 gas on pristine and noble metal doped molybdenum diselenide (MoSe2) structures is investigated by density functional theory (DFT) computations. The metals used for doping are Pt, Au, Ag, and their combination. The work discusses the effect of doping on the adsorption energy, charge transferred among MoSe2 structures and NH3 gas, adsorption distance, density of states (DOS), and band structure. The DOS as well as band structure of the modified MoSe2 show substantial modifications in the electronic properties as compared with the pristine structure. New energy bands are developed close to the Fermi level due to doping of MoSe2 structure. The NH3 gas adsorption on the doped structures is significantly enhanced, compared with the pure MoSe2 structure, where the adsorption energy and distance for NH3 gas are improved, thus, the sensitivity is enhanced sensitivity compared with the pure MoSe2 structure. This investigation demonstrates that noble metal doping of MoSe2 can be an effective method to develop sensitive detectors for NH3 gas.
Languageen
PublisherElsevier
SubjectMoSe2
NH3
First principles
DFT
Pt
Au
Ag
TitleInvestigation of NH3 adsorption on noble metal modified MoSe2
TypeArticle
Volume Number139
dc.accessType Open Access


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