Detecting gas molecules via atomic magnetization
- Detecting gas molecules via atomic magnetization
- 최희채; 이민호; 김승철; 이광렬; 정용재
- Gas sensor; magnetization; Density Functional Theory; ab initio; magnetic anisotropy
- Issue Date
- Dalton transactions
- VOL 43, NO 34, 13070-13075
- Adsorptions of gas molecules were found to alter the directions and magnitudes of magnetic moments of transition metal (Co, Fe) atoms adsorbed on graphene. Using first-principles calculations, we demonstrated that magnetism of surface atoms can be used to identify the kind of existing gas molecules via spin-reorientation and/or demagnetizations caused by the reconfigurations of 3d electron energy levels of Co and Fe. We suggest for the first time that magnetic properties of transition metal-embedded nanostructures can be used in highly selective gas-sensing applications.
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