Adsorption and Potential CO Gas-Sensing Performance of the Fe-Doped Ti2CO2-MXenes : A First-Principles Study
The adsorption behaviors and electronic properties of five gas molecules (CO, H2O, NH3, NO, and C2H6O) on the intrinsic Ti2CO2 and Fe-doped Ti2CO2 were calculated and studied based on first principles. The adsorption height, bond length change, adsorption energy, charge transfer, band structure, dif...
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Bibliographische Detailangaben
| Veröffentlicht in: | Langmuir : the ACS journal of surfaces and colloids. - 1985. - 40(2024), 33 vom: 20. Aug., Seite 17526-17535
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| 1. Verfasser: |
Zhao, Bing
(VerfasserIn) |
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| Weitere Verfasser: |
Liu, Xin,
Su, JiaHui,
Liu, Chi,
Feng, Yue,
Shen, Tao |
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| Format: | Online-Aufsatz
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| Sprache: | English |
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| Veröffentlicht: |
2024
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| Zugriff auf das übergeordnete Werk: | Langmuir : the ACS journal of surfaces and colloids
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| Schlagworte: | Journal Article |
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