https://nova.newcastle.edu.au/vital/access/ /manager/Index ${session.getAttribute("locale")} 5 Energetics of single- and double-layer steps on the Si(001) 2 x 1 surface calculated using the extended Brenner empirical potential https://nova.newcastle.edu.au/vital/access/ /manager/Repository/uon:2972 Wed 11 Apr 2018 17:06:32 AEST ]]> Small-radius clean and metal-doped boron carbide nanotubes: a density functional study https://nova.newcastle.edu.au/vital/access/ /manager/Repository/uon:3290 Wed 11 Apr 2018 16:32:16 AEST ]]> Importance of charging in atomic resolution scanning tunneling microscopy: study of a single phosphorus atom in a Si(001) surface https://nova.newcastle.edu.au/vital/access/ /manager/Repository/uon:1069 Wed 11 Apr 2018 15:39:00 AEST ]]> Single hydrogen atoms on the Si(001) surface https://nova.newcastle.edu.au/vital/access/ /manager/Repository/uon:3289 Wed 11 Apr 2018 14:50:27 AEST ]]> Atomic and electronic structure of the K/Si(111)√3x√3R30°-B chemisorption system https://nova.newcastle.edu.au/vital/access/ /manager/Repository/uon:3295 Wed 11 Apr 2018 13:51:44 AEST ]]> Valence surface electronic states on Ge(001) https://nova.newcastle.edu.au/vital/access/ /manager/Repository/uon:4411 Wed 11 Apr 2018 13:50:50 AEST ]]> Acetic acid on silicon (001): an exercise in chemical analogy https://nova.newcastle.edu.au/vital/access/ /manager/Repository/uon:17751 Wed 11 Apr 2018 13:47:33 AEST ]]> Single P and As dopants in the Si(001) surface https://nova.newcastle.edu.au/vital/access/ /manager/Repository/uon:3288 Wed 11 Apr 2018 13:40:06 AEST ]]> Atomic and electronic stucture of the Si(001)2x2-Li chemisorption system at 0.5 monolayer coverage https://nova.newcastle.edu.au/vital/access/ /manager/Repository/uon:1926 Wed 11 Apr 2018 13:35:59 AEST ]]> Importance of charging in atomic resolution scanning tunneling microscopy: study of a single phosphorus atom in a Si(001) surface https://nova.newcastle.edu.au/vital/access/ /manager/Repository/uon:2831 Wed 11 Apr 2018 13:18:46 AEST ]]> Water on silicon (001): C defects and initial steps of surface oxidation https://nova.newcastle.edu.au/vital/access/ /manager/Repository/uon:4412 Wed 11 Apr 2018 13:10:46 AEST ]]> Phosphine adsorption and dissociation on the Si(001) surface: an ab initio survey of structures https://nova.newcastle.edu.au/vital/access/ /manager/Repository/uon:601 Wed 11 Apr 2018 13:01:22 AEST ]]> Atomic and electronic structure of the Si(001)-Rb chemisorption system at 0.5 and 1.0 monolayer coverage https://nova.newcastle.edu.au/vital/access/ /manager/Repository/uon:576 Wed 11 Apr 2018 12:31:49 AEST ]]> Molecular dissociation of group-V hydrides on Si(001) https://nova.newcastle.edu.au/vital/access/ /manager/Repository/uon:3507 Wed 11 Apr 2018 11:36:02 AEST ]]> Phosphine adsorption and dissociation on the Si(001) surface: an ab initio survey of structures https://nova.newcastle.edu.au/vital/access/ /manager/Repository/uon:1703 Wed 11 Apr 2018 11:22:36 AEST ]]> Clean and metal-doped bundles of boron-carbide nanotubes: a density functional study https://nova.newcastle.edu.au/vital/access/ /manager/Repository/uon:3287 Wed 11 Apr 2018 10:05:53 AEST ]]> Electronic effects induced by single hydrogen atoms on the Ge(001) surface https://nova.newcastle.edu.au/vital/access/ /manager/Repository/uon:4355 Wed 11 Apr 2018 09:42:12 AEST ]]> Phosphine dissociation on the Si(001) surface https://nova.newcastle.edu.au/vital/access/ /manager/Repository/uon:2482 Wed 11 Apr 2018 09:23:35 AEST ]]> Dissociative adsorption of molecular oxygen on the Cu(001) surface: a density functional theory study https://nova.newcastle.edu.au/vital/access/ /manager/Repository/uon:9034 Wed 11 Apr 2018 09:19:45 AEST ]]> Reply to: Comment on 'Valence surface electronic states on Ge(001)' (commentary) https://nova.newcastle.edu.au/vital/access/ /manager/Repository/uon:7371 Wed 11 Apr 2018 09:17:40 AEST ]]> Properties of boron carbide nanotubes: density-functional-based tight-binding calculations https://nova.newcastle.edu.au/vital/access/ /manager/Repository/uon:3297 Wed 11 Apr 2018 09:17:12 AEST ]]> Structure and energetics of hydrogenated and dehydrogenated carbon tori https://nova.newcastle.edu.au/vital/access/ /manager/Repository/uon:457 Thu 25 Jul 2013 09:09:50 AEST ]]> Doping and STM tip-induced changes to single dangling bonds on Si(0 0 1) https://nova.newcastle.edu.au/vital/access/ /manager/Repository/uon:3388 Sat 24 Mar 2018 10:57:25 AEDT ]]> Adsorption-enhanced reactivity of the In/Si(001) system https://nova.newcastle.edu.au/vital/access/ /manager/Repository/uon:9722 3 In atoms), the binding energy values of the additional In atoms adsorbed on Si(001) are essentially constant. All of the In structures formed in stages one and two which contain In monomers are determined to be metallic, while those consisting of only In-In dimers are semiconducting.]]> Sat 24 Mar 2018 08:42:24 AEDT ]]> Structure and energetics of hydrogenated and dehydrogenated carbon tori https://nova.newcastle.edu.au/vital/access/ /manager/Repository/uon:883 Sat 24 Mar 2018 08:31:33 AEDT ]]> Energetics and stability within the microscopic, empirical model for finite, open-ended, single-walled, carbon nanotubes https://nova.newcastle.edu.au/vital/access/ /manager/Repository/uon:885 Sat 24 Mar 2018 08:31:32 AEDT ]]> Electronic effects of single H atoms on Ge(001) revisited https://nova.newcastle.edu.au/vital/access/ /manager/Repository/uon:11328 Sat 24 Mar 2018 08:12:34 AEDT ]]> Spin-orbit and modified Becke-Johnson potential effects on the electronic properties of bulk Ge: a density functional theory study https://nova.newcastle.edu.au/vital/access/ /manager/Repository/uon:18271 Sat 24 Mar 2018 08:04:23 AEDT ]]> Pb chain-like structures on the clean Si(001) surface - A DFT study https://nova.newcastle.edu.au/vital/access/ /manager/Repository/uon:17768 Sat 24 Mar 2018 07:57:30 AEDT ]]> Electronic effects of isolated halogen atoms on the Ge(001) surface https://nova.newcastle.edu.au/vital/access/ /manager/Repository/uon:21236 Sat 24 Mar 2018 07:53:03 AEDT ]]> Interaction of acetone with the Si(0 0 1) surface https://nova.newcastle.edu.au/vital/access/ /manager/Repository/uon:5344 Sat 24 Mar 2018 07:44:00 AEDT ]]> Atomic and electronic structure of the Si(001)2 x 1-K surface https://nova.newcastle.edu.au/vital/access/ /manager/Repository/uon:3412 Sat 24 Mar 2018 07:21:39 AEDT ]]> Atomic and electronic structure of the Si(001)2x1-Li chemisorption system at 1.0 monolayer coverage https://nova.newcastle.edu.au/vital/access/ /manager/Repository/uon:3390 Sat 24 Mar 2018 07:18:57 AEDT ]]> Boron segregation on the Si(111)√3 x √3R30° surface https://nova.newcastle.edu.au/vital/access/ /manager/Repository/uon:3391 Sat 24 Mar 2018 07:18:57 AEDT ]]> Evaluation of different models for the dissociation of silane on the Si(111)7 x 7 surface using the extended Brenner empirical potential https://nova.newcastle.edu.au/vital/access/ /manager/Repository/uon:3392 Sat 24 Mar 2018 07:18:57 AEDT ]]> Binding sites for SiH₂/Si(0 0 1): a combined ab initio, tight-binding, and classical investigation https://nova.newcastle.edu.au/vital/access/ /manager/Repository/uon:3389 Sat 24 Mar 2018 07:18:56 AEDT ]]> Towards hybrid silicon-organic molecular electronics: the stability of acetone on the Si(0 0 1) surface https://nova.newcastle.edu.au/vital/access/ /manager/Repository/uon:3387 Sat 24 Mar 2018 07:18:56 AEDT ]]> Reaction paths of phosphine dissociation on silicon (001) https://nova.newcastle.edu.au/vital/access/ /manager/Repository/uon:27791 Fri 10 Nov 2023 15:45:45 AEDT ]]>