期刊
JOURNAL OF PHYSICS-CONDENSED MATTER
卷 31, 期 29, 页码 -出版社
IOP PUBLISHING LTD
DOI: 10.1088/1361-648X/ab18ef
关键词
density functional theory; negative electron affinity; diamond; surface
资金
- Engineering and Physical Sciences Research Council (EPSRC) via the Functional Nanomaterials CDT [EP/L016648/1]
Recent computational work has shown that light metals adsorbed onto the oxygenated diamond (1 0 0) surface have the potential to give diamond a temperature-stable negative electron affinity (NEA). Here, we use density functional theory to study three of these metals, lithium, magnesium and aluminium, on the (1 1 1) surface. We show that all three of these metals adsorbed onto the ketone O-terminated diamond surface can possess a large NEA and adsorption energies above that of H-termination at monolayer (ML) or sub-ML coverages. Adsorption onto the ether O-terminated surface gives similarly large NEAs but lower adsorption energies. These results are promising for the development of novel NEA surfaces such as those required for thermionic devices.
作者
我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。
推荐
暂无数据