Potential-energy function of two hydrogen atoms around a platinum atom which protrudes from a metallic-platinum surface
Min-Hsiung Tsai; Min-Hsiung Tsai; Dept. of Phys., Kaohsiung Teachers' Coll., Kaohsiung, Taiwan
Журнал:
Journal of Physics C: Solid State Physics
Дата:
1979-08-14
Аннотация:
A model calculation of the potential-energy function of two H atoms around a Pt atom that protrudes from a smooth metallic-Pt surface has been performed using the Heitler-London method. It is found that the potential energy is minimum along two contours; along one contour, the two H atoms combine as a molecule, while along the second contour, they are separated not only geometrically but also electronically when the Pt-H separation is larger than about 2.4a<sub>0</sub>.
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