Theoretical studies of the magnetism of the first-row adatom on the ZnO nanotube
Source abstract
Abstract
Abstract On the basis of density functional theory (DFT) methods, we study the magnetic properties and electronic structures of the adsorbed ZnO nanotube by various first-row atoms (H, Li, Be, B, C, N, O, and F). It is found that the eight atoms which have been studied can be effectively adsorbed by the ZnO nanotube with the adsorption energy ranging from 1.53 to 6.79 eV. Furthermore, the adsorption of Li, C, N, O, F atoms can induce magnetization, whereas no magnetism is observed when H, Be, and B atoms are absorbed on the ZnO nanotube.
Source: openaire · Quality: candidate unverified · Source record ↗
Research context
OpenAlex topics: ZnO doping and properties · Gas Sensing Nanomaterials and Sensors · Boron and Carbon Nanomaterials Research
SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.
References (58)
Show source-provided references
1. Helical microtubules of graphitic carbon10.1038/354056a0 ↗
2. Are fullerene tubules metallic?10.1103/PhysRevLett.68.631 ↗
3. New one-dimensional conductors: graphitic microtubules10.1103/PhysRevLett.68.1579 ↗
4. Electronic structure of chiral graphene tubules10.1063/1.107080 ↗
5. Carbon-based electronics10.1038/nnano.2007.300 ↗
6. Electric field control of spin transport10.1038/nphys149 ↗
7. Transformation of spin information into large electrical signals using carbon nanotubes10.1038/nature05507 ↗
8. Electric-field-controlled spin reversal in a quantum dot with ferromagnetic contacts10.1038/nphys931 ↗
9. Magnetic properties of vacancies in graphene and single-walled carbon nanotubes10.1088/1367-2630/6/1/068 ↗
10. Magnetic properties and diffusion of adatoms on a graphene sheet10.1103/PhysRevLett.91.017202 ↗
11. Structure and magnetic properties of adatoms on carbon nanotubes10.1103/PhysRevB.69.155422 ↗
12. Hydrogen-induced magnetism in carbon nanotubes10.1103/PhysRevB.72.085451 ↗
13. First-principles study of defect-induced magnetism in carbon10.1103/PhysRevLett.99.107201 ↗
14. Tremendous spin-splitting effects in open boron nitride nanotubes: application to nanoscale spintronic devices10.1021/ja057420e ↗
15. Spin-polarized electron current from carbon-doped open armchair boron nitride nanotubes: implication for nano-spintronic devices10.1016/j.cplett.2007.01.076 ↗
16. Theoretical studies of the interaction of an open-ended boron nitride nanotube (BNNT) with gas molecules10.1021/jp805790s ↗
17. Magnetism in BN nanotubes induced by carbon doping10.1063/1.1890477 ↗
18. Possible magnetism of Be-doped boron nitride nanotubes10.1166/jnn.2008.IC26 ↗
19. Adsorption of molecular oxygen on the walls of pristine and carbon-doped (5, 5) boron nitride nanotubes: spin-polarized density functional study10.1103/PhysRevB.75.245301 ↗
20. Ab initio calculations on the magnetic properties of hydrogenated boron nitride nanotubes10.1021/jp802524m ↗
21. Magnetism of C adatoms on BN nanostructures: implications for functional nanodevices10.1021/ja805632p ↗
22. Fluorination-induced magnetism in boron nitride nanotubes from ab initio calculations10.1063/1.2894507 ↗
23. Tunable ferromagnetic spin ordering in boron nitride nanotubes with topological fluorine adsorption10.1021/ja901586k ↗
24. Ferromagnetism induced by intrinsic defects and boron substitution in single-wall SiC nanotube10.1021/jp109470r ↗
25. A density functional study of fluorinated single-walled silicon carbide nanotubes10.1021/jp910644x ↗
26. Theoretical studies of the magnetism of the first-row adatom on the silicon carbide (SiC) nanotube10.1021/jp073722m ↗
27. A comprehensive review of ZnO materials and devices10.1063/1.1992666 ↗
28. Ab initio study of hydrogen adsorption on the ZnO surface10.1016/S0039-6028(98)00750-X ↗
29. Gas sensitivity of ZnO based thick film sensor to NH3 at room temperature10.1016/S0925-4005(99)00049-0 ↗
30. Detection of volatile organic compounds with polymer-coated cantilevers10.1016/0925-4005(93)85106-K ↗
31. Chemically deposited zinc oxide thin film gas sensor10.1023/A:1004694501646 ↗
32. Ceramic sensor device materials10.1016/0925-4005(92)85017-Q ↗
33. Zinc oxide ceramic semi-conductor gas sensor for ethanol vapour10.1016/S0254-0584(99)00267-9 ↗
34. Electrode effects on gas sensing properties of nanocrystalline zinc oxide10.1016/S0965-9773(98)00087-7 ↗
35. Low temperature selective NO2 sensors by nanostructured fibres of ZnO10.1016/j.snb.2003.12.045 ↗
36. A simple route towards tubular ZnO10.1039/b108863g ↗
37. Heterostructures of ZnO–Zn coaxial nanocables and ZnO nanotubes10.1063/1.1499512 ↗
38. Thermal reduction route to the fabrication of coaxial Zn/ZnO nanocables and ZnO nanotubes10.1021/cm020649y ↗
39. Rational design and fabrication of ZnO nanotubes from nanowire templates in a microwave plasma system10.1021/jp034487k ↗
40. Optical properties of the ZnO nanotubes synthesized via vapor phase growth10.1063/1.1605808 ↗
41. Catalytic growth of ZnO nanotubes10.1016/j.matchemphys.2003.09.004 ↗
42. Metal-semiconductor Zn–ZnO core-shell nanobelts and nanotubes10.1021/jp036993f ↗
43. Synthesis of aligned arrays of ultrathin ZnO nanotubes on a Si wafer coated with a thin ZnO film10.1002/adma.200500726 ↗
44. Structural and photoluminescence characterization of ZnO nanowalls grown by metal organic chemical vapor deposition10.1016/j.tsf.2009.07.105 ↗
45. ZnO nanowall structures synthesized by radio frequency magnetron sputtering method10.1143/JJAP.48.08HJ02 ↗
46. Wire versus tube: stability of small one-dimensional ZnO nanostructures10.1021/nl070788k ↗
47. Size-and surface-dependent stability, electronic properties, and potential as chemical sensors: computational studies on one-dimensional ZnO nanostructures10.1021/jp803273r ↗
48. Room temperature hydrogen and hydrocarbon sensors based on single nanowires of metal oxides10.1088/0022-3727/40/9/016 ↗
49. Hydrothermal synthesis and gas sensing characters of ZnO nanorods10.1016/j.snb.2005.03.097 ↗
50. Gas sensing properties of ZnO nanorods prepared by hydrothermal method10.1007/s10853-005-2435-4 ↗
51. Humidity sensing properties of Pd2+-doped ZnO nanotetrapods10.1016/j.apsusc.2005.04.047 ↗
52. Fabrication and ethanol sensing characteristics of ZnO nanowire gas sensors10.1063/1.1738932 ↗
53. Adsorption of O2, H2, CO, NH3, and NO2 on ZnO nanotube: a density functional theory study10.1021/jp711105d ↗
54. Ab initio molecular dynamics for liquid metals10.1103/PhysRevB.47.558 ↗
55. From ultrasoft pseudopotentials to the projector augmented-wave method10.1103/PhysRevB.59.1758 ↗
56. Projector augmented-wave method10.1103/PhysRevB.50.17953 ↗
57. Ab initio molecular dynamics for open-shell transition metals10.1103/PhysRevB.48.13115 ↗
58. First-principles study of the adsorption of methanol at the α-Al2O3 (0001) surface10.1088/0953-8984/18/1/001 ↗