6533b81ffe1ef96bd127869d

RESEARCH PRODUCT

Time-Dependent Density Functional Theory Calculations of N- and S-Doped TiO2 Nanotube for Water-Splitting Applications

Roberts I. EglitisAleksandrs ZačinskisAleksejs GopejenkoAnna IvanovaPavel N. D’yachkovInta IsakovičaSergei PiskunovYin-pai Lin

subject

NanotubeAnataseMaterials scienceAbsorption spectroscopyabsorption spectraGeneral Chemical Engineering02 engineering and technology7. Clean energy01 natural sciencesTiO2 nanotubeCondensed Matter::Materials Science0103 physical sciencesTime-dependent density functional theoryPhysics::Atomic and Molecular Clusterstransition contribution mapsGeneral Materials ScienceTransition contribution maps010306 general physicsQD1-999TiO<sub>2</sub> nanotubeDopantphotocatalystDopingAbsorption spectraPhotocatalystTime-dependent density functional theory021001 nanoscience & nanotechnologyChemistrytime-dependent density functional theoryChemical physics:NATURAL SCIENCES [Research Subject Categories]Water splittingDensity functional theory0210 nano-technology

description

This research was funded by the Latvian Council of Science grant LZP-2018/2-0083. 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.

yearjournalcountryeditionlanguage
2021-10-29Nanomaterials
10.3390/nano11112900http://dx.doi.org/10.3390/nano11112900