title: Detecting gas molecules via atomic magnetization.
abstract: 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.
authors.affiliation: Center for Computational Science, Korea Institute of Science and Technology, Hwarangro 14 Gil 5, Seoul 136-791, Korea. sckim@kist.re.kr.
authors.forename: Heechae
authors.initials: H
authors.lastname: Choi
authors.forename: Minho
authors.initials: M
authors.lastname: Lee
authors.forename: Seungchul
authors.initials: S
authors.lastname: Kim
authors.forename: Kwang-Ryeol
authors.initials: KR
authors.lastname: Lee
authors.forename: Yong-Chae
authors.initials: YC
authors.lastname: Chung