Direct assignment of active nitrous oxide from spatial distributions of emitted products

通过N_2的空间分布和DFT-GGA模型计算，考察了Pd(211)=[(s)3（111）×（001）]催化NO还原过程中解离中间体n2o的结构。活性N_2O通过末端N吸附在（111）平台上，其解离是通过末端氧去除到阶梯Pd原子上完成的。N_2发射沿断裂键轴方向集中，即沿阶梯上下方向的平面集中。

The structure of dissociating intermediate N_2O in the catalyzed NO reduction on stepped Pd(211)=[(s)3(111)×(001)] has been examined from the spatial distribution of emitted N_2 and DFT-GGA model calculations. The active N_2O is adsorbed through the terminal N on a (111) terrace and its dissociation is completed by the terminal oxygen removal onto stepped Pd atoms. The N_2 emission is concentrated along the rupture bond axis, i.e., in the plane along the step up-and-down direction.