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A molecular beam study of D2 dissociation on Pt(111): testing SRP-DFT calculations
Chemical Physics Letters ( IF 2.8 ) Pub Date : 2018-07-11 , DOI: 10.1016/j.cplett.2018.07.024 Kun Cao , Richard van Lent , A.W. Kleyn , L.B.F. Juurlink
中文翻译:
Pt(111)上D 2离解的分子束研究:测试SRP-DFT计算
更新日期:2018-07-12
Chemical Physics Letters ( IF 2.8 ) Pub Date : 2018-07-11 , DOI: 10.1016/j.cplett.2018.07.024 Kun Cao , Richard van Lent , A.W. Kleyn , L.B.F. Juurlink
We investigate geometric corrugation for D2 dissociation on Pt(111) by mapping the dependence of the initial reaction probability on incident kinetic energy and polar angle for two different azimuths. In accordance with predictions from dynamical calculations of dissociation on an SRP-based potential energy surface, we find at most a very weak signature of geometric corrugation at large polar angles.
中文翻译:
Pt(111)上D 2离解的分子束研究:测试SRP-DFT计算
我们探讨d几何波纹2通过映射初始反应概率的入射动能和极角的依赖关系的两个不同方位角在Pt(111)的解离。根据基于SRP的势能表面上解离动力学计算的预测,我们发现,在大的极角处,至多几何波纹的特征都非常微弱。