Şinasi Ellialtıoğlu

A theoretical analysis of small Pt particles on rutile TiO2(110) surfaces

The adsorption profiles and electronic structures of

Pt-incorporated anatase TiO2(001) surface for solar cell applications : First-principles density functional theory calculations

{\text{Pt}}_{n}(n=1\char21{}4)

Electronic structure of the chainlike compound TlSe

clusters on stoichiometric, reduced and reconstructed rutile

Pentacene Multilayers on Ag(111) Surface

{\text{TiO}}_{2}(110)

Modification ofTiO2(001)surface electronic structure by Au impurity investigated with density functional theory

surfaces were systematically studied using on site

Mg adsorption on Si(001) surface from first principles

d\text{\ensuremath{-}}d

Electronic structures and optical spectra of thin anataseTiO2nanowires through hybrid density functional and quasiparticle calculations

Coulomb interaction corrected hybrid density-functional-theory (DFT) calculations. The atomic structure of small Pt cluster adsorbates mainly depends on the stoichiometry of the corresponding titania support. The cluster shapes on the bulk terminated ideal surface look like their gas phase low-energy structures. However, for instance, they get significantly distorted on the reduced surfaces with increasing oxygen vacancies. On nonstoichiometric surfaces, Pt-Ti coordination becomes dominant in the determination of the adsorption geometries. The electronic structure of

Influence of Steps on the Tilting and Adsorption Dynamics of Ordered Pentacene Films on Vicinal Ag(111) Surfaces

{\text{Pt}}_{n}/{\text{TiO}}_{2}(110)

DFT study of noble metal impurities on TiO2(110)

systems cannot be correctly described by pure DFT methods, particularly for nonstoichiometric cases due to the inappropriate treatment of the correlation for

Cs adsorption on Si(001) surface : An ab initio study

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