104 citations · 258 across the 5 of their papers we have counts for
3 papers · 1 filter
Ab initio study of the two-dimensional metallic state at the surface of SrTiO3: importance of oxygen vacancies
Juan Shen, Hunpyo Lee, Roser Valenti +1
Motivated by recent angle-resolved photoemission spectroscopy (ARPES) observations of a highly metallic two-dimensional electron gas (2DEG) at the (001) vacuum-cleaved surface of S…
Physisorption of an organometallic platinum complex on silica. An ab initio study
Juan Shen, Kaliappan Muthukumar, Harald O. Jeschke +1
The interaction of trimethyl methylcyclopentadienyl platinum (MeCpPtMe3) with a fully hydroxylated SiO2 surface has been explored by means of ab initio calculations. A large slab m…
Interaction of W(CO) with SiO Surfaces -- A Density Functional Study
Kaliappan Muthukumar, Ingo Opahle, Juan Shen +2
The interaction of tungsten hexacarbonyl W(CO) precursor molecules with SiO substrates is investigated by means of density functional theory calculations with and without i…