Interaction of MoSe2 Monolayer with Fe-Mn Atoms and FeMn Nanoatom Cluster
In recent years, two-dimensional semiconductor materials have been produced which exhibit interesting electrical and optical properties. In monolayer materials, electrons behave differently. As the electrons move between the monolayer materials, they exhibit different properties by being held in two...
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| Format: | Article |
| Language: | English |
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Gazi University
2019-12-01
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| Series: | Gazi Üniversitesi Fen Bilimleri Dergisi |
| Subjects: | |
| Online Access: | https://dergipark.org.tr/tr/download/article-file/878493 |
| _version_ | 1828023387458371584 |
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| author | Ayşe DEMİRKIRAN |
| author_facet | Ayşe DEMİRKIRAN |
| author_sort | Ayşe DEMİRKIRAN |
| collection | DOAJ |
| description | In recent years, two-dimensional semiconductor materials have been produced which exhibit interesting electrical and optical properties. In monolayer materials, electrons behave differently. As the electrons move between the monolayer materials, they exhibit different properties by being held in two dimensions. In this context; molybdenum diselenide(MoSe2) monolayer was obtained by optimization of stable structure, Linux operating system and quantum espresso 3.2 program. Firstly, by determining the bond lengths of molybdenum(Mo) and selenium(Se) atoms, a stable MoSe2 monolayer was formed. For this purpose, kinetic energy cut-off value, lattice value and kpoint values were determined. The binding energy and bond length were calculated by obtaining the stable structure of MoSe2 monolayer. On the determined stable structure, Fe, Mn atoms and possible configurations of the attachment of FeMn atomic clusters were studied. The most stable structure of these configurations is shown. Since the nanoclusters of Fe-Mn atoms are important because of their applications in catalysts and nanoelectronic fields, the interaction between the MoSe2 monolayer and Fe, Mn atoms and FeMn atomic clusters was investigated. Since the nanoclusters of Fe-Mn atoms are important because of their applications in catalysts and nanoelectronic fields, the interaction between the MoSe2 monolayer and Fe, Mn atoms and FeMn atomic clusters was investigated. |
| first_indexed | 2024-04-10T12:26:22Z |
| format | Article |
| id | doaj.art-2eec90298fa943d0b701c66051bb83cf |
| institution | Directory Open Access Journal |
| issn | 2147-9526 |
| language | English |
| last_indexed | 2024-04-10T12:26:22Z |
| publishDate | 2019-12-01 |
| publisher | Gazi University |
| record_format | Article |
| series | Gazi Üniversitesi Fen Bilimleri Dergisi |
| spelling | doaj.art-2eec90298fa943d0b701c66051bb83cf2023-02-15T16:15:10ZengGazi UniversityGazi Üniversitesi Fen Bilimleri Dergisi2147-95262019-12-01741025103610.29109/gujsc.586737Interaction of MoSe2 Monolayer with Fe-Mn Atoms and FeMn Nanoatom ClusterAyşe DEMİRKIRANIn recent years, two-dimensional semiconductor materials have been produced which exhibit interesting electrical and optical properties. In monolayer materials, electrons behave differently. As the electrons move between the monolayer materials, they exhibit different properties by being held in two dimensions. In this context; molybdenum diselenide(MoSe2) monolayer was obtained by optimization of stable structure, Linux operating system and quantum espresso 3.2 program. Firstly, by determining the bond lengths of molybdenum(Mo) and selenium(Se) atoms, a stable MoSe2 monolayer was formed. For this purpose, kinetic energy cut-off value, lattice value and kpoint values were determined. The binding energy and bond length were calculated by obtaining the stable structure of MoSe2 monolayer. On the determined stable structure, Fe, Mn atoms and possible configurations of the attachment of FeMn atomic clusters were studied. The most stable structure of these configurations is shown. Since the nanoclusters of Fe-Mn atoms are important because of their applications in catalysts and nanoelectronic fields, the interaction between the MoSe2 monolayer and Fe, Mn atoms and FeMn atomic clusters was investigated. Since the nanoclusters of Fe-Mn atoms are important because of their applications in catalysts and nanoelectronic fields, the interaction between the MoSe2 monolayer and Fe, Mn atoms and FeMn atomic clusters was investigated.https://dergipark.org.tr/tr/download/article-file/878493mose2 monolayerfe atomsmn atoms |
| spellingShingle | Ayşe DEMİRKIRAN Interaction of MoSe2 Monolayer with Fe-Mn Atoms and FeMn Nanoatom Cluster Gazi Üniversitesi Fen Bilimleri Dergisi mose2 monolayer fe atoms mn atoms |
| title | Interaction of MoSe2 Monolayer with Fe-Mn Atoms and FeMn Nanoatom Cluster |
| title_full | Interaction of MoSe2 Monolayer with Fe-Mn Atoms and FeMn Nanoatom Cluster |
| title_fullStr | Interaction of MoSe2 Monolayer with Fe-Mn Atoms and FeMn Nanoatom Cluster |
| title_full_unstemmed | Interaction of MoSe2 Monolayer with Fe-Mn Atoms and FeMn Nanoatom Cluster |
| title_short | Interaction of MoSe2 Monolayer with Fe-Mn Atoms and FeMn Nanoatom Cluster |
| title_sort | interaction of mose2 monolayer with fe mn atoms and femn nanoatom cluster |
| topic | mose2 monolayer fe atoms mn atoms |
| url | https://dergipark.org.tr/tr/download/article-file/878493 |
| work_keys_str_mv | AT aysedemirkiran interactionofmose2monolayerwithfemnatomsandfemnnanoatomcluster |