论文标题
IR上的六角硼硝酸硼单层上的顺序锂沉积（111）：识别插入和吸附
Sequential lithium deposition on hexagonal boron nitride monolayer on Ir(111): Identifying intercalation and adsorption
论文作者
论文摘要
通过角度分辨光发射光谱和低能电子衍射研究，研究了IR（111）上LI原子逐步沉积在IR（111）上的单层（HBN）单层。顺序LI沉积逐渐将HBN的带结构转移到较高的结合能，因为诱导可变的电势来自碱原子的电子电荷捐赠。在较小的覆盖范围内，Li原子优选在HBN层下插入，在那里它们充满电，并产生频带结构的大初始移位。此外，插入的Li原子有效地将HBN从底物解散，从而减少了其Moiré波牙。随着沉积进一步的进一步，LI原子也吸附在HBN的顶部，并且由于库仑排斥惩罚而导致的插入和吸附的Li原子的平均有效电荷逐渐减少，这在互级子系统中由金属底物部分筛选。这引起了各自的电势和带结构的饱和，并详细介绍了具有电荷捐赠物种的外延HBN系统的化学功能化的途径和局限性。
Stepwise deposition of Li atoms onto hexagonal boron nitride (hBN) monolayer on Ir(111) is investigated by means of angle-resolved photoemission spectroscopy and low-energy electron diffraction. Sequential Li deposition progressively shifts the band structure of hBN to higher binding energies due to the induction of a variable electric potential originating from electronic charge donation by alkali atoms. At small coverages, Li atoms preferably intercalate under the hBN layer, where they are highly charged and give rise to a large initial shift of the band structure. Additionally, intercalated Li atoms effectively decouple hBN from the substrate and consequently reduce its moiré corrugation. As the deposition progresses further, Li atoms also adsorb on top of hBN, and the average effective charge of both intercalated and adsorbed Li atoms progressively diminishes due to the Coulomb repulsion penalty, which is partially screened by the metal substrate in the intercalated subsystem. This gives rise to a saturation of the respective electric potential and the band structure shift, and elaborates on the pathways and limitations of chemical functionalization of epitaxial hBN systems with charge donating species.
