Dalton Trans., 43, 13070-13075 (2014) [pdf]

 

Detecting Gas Molecules via Atomic Magnetization

 

Heechae Choi, Minho Lee, Seungchul Kim, Kwang-Ryeol Lee and Yong-Chae Chung
 

 

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.