2 pi affinity level of adsorbed CO: Bonding and dispersion.
2 pi affinity level of adsorbed CO: Bonding and dispersion.
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2 吸附 CO 的 pi 亲和力水平：键合和分散。
DOI：
10.1103/physrevb.32.4296
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发表时间：
1985
期刊：
影响因子：
--
通讯作者：
Avouris
中科院分区：
文献类型：
--
作者：
Rogozik;Dose;Prince;Bradshaw;Bagus;Hermann;Avouris
CO吸附在Cu（100）表面的逆光电子能谱显示出分裂的CO2\ensuremath {\pi}-衍生特征。对于高覆盖率的有序覆盖层，清楚地观察到这两个组件的带色散。我们提出的证据从集群计算分裂是由两类负离子的最终状态的发生。在第一类（较低能量）中，添加的电子处于与Cu和CO成键的轨道中，而在第二类中，添加的电子处于反键的轨道中。
The inverse photoemission spectrum of CO adsorbed on the CU(100) surface reveals a split CO 2\ensuremath{\pi}--derived feature. For the ordered overlayers at high coverage, band dispersion of both components is clearly observed. We present evidence from cluster calculations that the splitting is caused by the occurrence of two classes of negative-ion final states. In the first (lower-energy) class, the added electron is in an orbital which is bonding with respect to Cu and CO and in the second class in an orbital which is antibonding.