The Li-adsorbed C(100)-(1x1):O Diamond Surface

Abstract

This paper presents density functional theory results for the Li-adsorbed C(100)-(1x1):O system. Previously it has been shown that at a single monolayer coverage, the binding energy for Li on oxygenated C(100) diamond is substantially higher than that of heavier alkali metals, while at the same time, the presence of the lithium generates a large shift in the diamond workfunction. The system is therefore promising for electronics applications involving diamond. Here, further calculations are presented showing that additional Li atoms above 1ML coverage are far less strongly bound, suggesting the 1ML surface is the most useful for vacuum microelectronic applications.

Photoelectron emission from lithiated diamond

“…In addition, it should also be the case that the Li surface is the most chemically stable on oxygen‐terminated diamond with 1 ML Li coverage. Our calculations bear this out– adding additional Li atoms above 1 ML coverage yields a very low binding energy for the extra atoms . This is ideal because it makes the prospect of actually fabricating such a surface much easier: excess lithium should be less stable with respect to, for example, thermal annealing therefore facilitating easy removal of the excess.…”

Hunting the elusive shallow n-type donor – An ab initio study of Li and N co-doped diamond

“…Moreover, such lithiated surfaces remain stable at temperatures up to 1000 K. These NEA surfaces enhance the emission of electrons from the bulk diamond into the vacuum [28,30,31], which is a key requirement for field emission devices and thermionic energy converters. Other groups have used DFT to explore the effects of a variety of surfaceterminating species, such as MgO, which has also recently been studied experimentally [32], F, Cl, Br, CoO, CuO, and TiO [29,[33][34][35][36][37].…”

Broadband metasurface absorber for solar thermal applications

“…Compared with conventional photovoltaic devices, solar thermal converters have the potential to be more efficient since they can use the whole of the solar spectrum [6]. There are also emerging technologies such as solar thermionics [7] and photon-enhanced thermionic emission (PETE) [8] that can benefit from thin, low cost surfaces that can be integrated with materials required for these applications such as lithiated diamond [9]. For solar thermal applications the surface must achieve strong absorption in the visible and near Infrared bands while maintaining high reflectivity in the thermal infrared bands preventing thermal radiation and thus achieving maximum temperature rise [10], [11].…”

“…Solar thermionics is being developed that uses lithiated diamond to create a very efficient electron emitter [9] and if it was possible to integrate the diamond material within a solar absorbing surface this may lead to very low cost technology. Absorbing layers in MDM structures have been studied previously, in [15] a Spin-On-Glass with an absorption resonance in the mid infrared is used to show strong coupling between the metasurface resonance and the absorber.…”