期刊论文详细信息
Competition between vibrational excitation and dissociation in collisions of H-2 with Cu(100) | |
Article | |
关键词: DEPENDENT SCHRODINGER-EQUATION; METAL-SURFACES; ENERGY; APPROXIMATION; ADSORPTION; D2; SCATTERING; EXCHANGE; ACCURATE; CU(111); | |
DOI : 10.1103/PhysRevB.53.10397 | |
来源: SCIE |
【 摘 要 】
A four-dimensional dynamics study was performed on vibrational excitation and dissociation of H-2 in collisions with Cu(100). The potential-energy surface was taken from density-functional calculations. Large probabilities for vibrational excitation (> 10%) are obtained. Two-dimensional fixed-site calculations show that the vibrational excitation is due to impacts on the top site. Impacts on the bridge acid hollow sites are more efficient in causing dissociation.
【 授权许可】
Free