Show simple item record

dc.contributor.authorO'Donnell, Kane
dc.contributor.authorMartin, T.
dc.contributor.authorAllan, N.
dc.date.accessioned2017-01-30T12:49:17Z
dc.date.available2017-01-30T12:49:17Z
dc.date.created2015-10-29T04:09:19Z
dc.date.issued2015
dc.identifier.citationO'Donnell, K. and Martin, T. and Allan, N. 2015. Light metals on oxygen-terminated diamond (100): Structure and electronic properties. Chemistry of Materials. 27 (4): pp. 1306-1315.
dc.identifier.urihttp://hdl.handle.net/20.500.11937/25611
dc.identifier.doi10.1021/cm5043155
dc.description.abstract

Recently a lithiated C(100)-(1 × 1):O surface has been demonstrated to possess a true negative electron affinity: that is, the conduction band minimum at the surface is lower in energy than the local vacuum level. Here we present a density functional theory study of diamond surfaces with various alkali-metal- and alkaline-earth-oxide terminations. We find a size-dependent variation of electronic surface properties that divides the adsorbates into two groups. In both cases, ether bridges are broken. Adsorption of the smaller alkali metals/alkaline earths such as lithium and magnesium leads to a significant surface dipole resulting from transfer of charge across X-O-C complexes, whereas at the other extreme, cesium- and potassium-adsorbed C(100)-(1 × 1):O surfaces exhibit conventional dipole formation between the ionic adsorbate and a negatively charged carbonyl-like surface. Sodium is intermediate. Computed surface band structures and density of states are presented, illustrating the key electronic differences between these two groups.

dc.publisherAmerican Chemical Society
dc.titleLight metals on oxygen-terminated diamond (100): Structure and electronic properties
dc.typeJournal Article
dcterms.source.volume27
dcterms.source.number4
dcterms.source.startPage1306
dcterms.source.endPage1315
dcterms.source.issn0897-4756
dcterms.source.titleChemistry of Materials
curtin.departmentDepartment of Physics and Astronomy
curtin.accessStatusFulltext not available


Files in this item

FilesSizeFormatView

There are no files associated with this item.

This item appears in the following Collection(s)

Show simple item record