Quantum dynamics of dissociative adsorption of H_2 on Ni (100) using the dynamical Lie algebraic method |
| |
Authors: | GUAN Daren YI Xizhang DING ShiliangZHENG Yujun and LIU Jianyong |
| |
Abstract: | A dynamical Lie algebraic method has been applied to treating the quantum dynamics of dissociative adsorption of H2 on a static flat metal surface. An LEPS potential energy surface has been used to describe the interaction of H2 with Ni(100) surface. The dependence of the initial state-selected dissociation probability was obtained analytically on the initial kinetic energy and time. A comparison with other theoretical calculations and experiments is made. The results show that the method can be effectively used to describe the dynamics of reactive gas-surface scattering. |
| |
Keywords: | dynamical Lie algebraic method dynamics of reactive gas-surface scattering dissociative adsorption. |
本文献已被 CNKI 等数据库收录! |