Jooya H Z, Fan X, McKay K S, Pappas D P, Hite D A, Sadeghpour H R
ITAMP, Harvard-Smithsonian Center for Astrophysics, Cambridge, MA, USA.
National Institute of Standards and Technology, Boulder, CO, USA.
Mol Phys. 2019;117(15-16). doi: 10.1080/00268976.2019.1603409.
We investigate the work function (WF) variation of different Au crystallographic surface orientations with carbon atom adsorption. calculations within density-functional theory are performed on carbon deposited (100), (110), and (111) gold surfaces. The WF behaviour with carbon coverage for the different surface orientations is explained by the resultant electron charge density distributions. The dynamics of carbon adsorption at sub-to-one- monolayer (ML) coverage depends on the landscape of the potential energy surfaces. At higher ML coverage, because of adsorption saturation, the WF will have weak surface orientation dependence. This systematic study has consequential bearing on studies of electric-field noise emanating from polycrystalline gold ion-trap electrodes that have been largely employed in microfabricated electrodes.
我们研究了不同金晶体表面取向在碳原子吸附时的功函数（WF）变化。利用密度泛函理论对沉积有碳的（100）、（110）和（111）金表面进行了计算。不同表面取向的功函数随碳覆盖度的变化行为可由所得电子电荷密度分布来解释。亚单层至单层（ML）覆盖度下碳吸附的动力学取决于势能面的情况。在较高的ML覆盖度下，由于吸附饱和，功函数对表面取向的依赖性较弱。这项系统性研究对多晶金离子阱电极产生的电场噪声研究具有重要意义，这种电极在微加工电极中已被大量使用。
