6533b829fe1ef96bd128aecc

RESEARCH PRODUCT

Influence of Au, Ag, and Cu Adatoms on Optical Properties of TiO2 (110) Surface: Predictions from RT-TDDFT Calculations

Yin-pai LinDmitry BocharovSergei PiskunovMikhail BrikEugene A. Kotomin

subject

Inorganic ChemistryCondensed Matter::Materials Sciencetime-dependent density functional theoryabsorption spectraphotocatalystGeneral Chemical EngineeringPhysics::Atomic and Molecular ClustersTiO2transition contribution mapsGeneral Materials Science:NATURAL SCIENCES::Physics [Research Subject Categories]Condensed Matter PhysicsTiO2; photocatalyst; time-dependent density functional theory; absorption spectra; transition contribution maps

description

This study was financially supported by Flag-ERA JTC To2Dox project (S.P.) and M-ERA-NET2 project SunToChem (E.A.K.). M.G.B. thanks the support from the Program for the Foreign Experts (Grant No. W2017011) offered by Chongqing University of Posts and Telecommunications and the National Foreign Experts Program for “Belt and Road Initiative” Innovative Talent Exchange (Grant No. DL2021035001L), Estonian Research Council grant PUT PRG111, European Regional Development Fund (TK141), NCN project 2018/31/B/ST4/00924. Institute of Solid State Physics, University of Latvia, as the Center of Excellence, has received funding from the European Union’s Horizon 2020 Framework Program H2020-WIDESPREAD-01-2016-2017-TeamingPhase2 under Grant Agreement No. 739508, project CAMART2. The calculations were performed at the Latvian SuperCluster (LASC) located in Institute of Solid State Physics, University of Latvia.

yearjournalcountryeditionlanguage
2022-03-24Crystals
10.3390/cryst12040452http://dx.doi.org/10.3390/cryst12040452