| Original language | English |
|---|---|
| Article number | 045306 |
| Number of pages | 14 |
| Journal | Physical Review B |
| Volume | 98 |
| Issue number | 4 |
| DOIs | |
| Publication status | Published - 20 Jul 2018 |
Funding
This work was supported by the Austrian Science Fund (FWF) SFB project VICOM (Grant No. F41), by the FWF project POLOX (Grant No. I 2460-N36), by the ERC Advanced Research Grant "OxideSurfaces," and by the FWF Wittgenstein-prize (Z250-N16). The computational results presented have been achieved using the Vienna Scientific Cluster (VSC). There are no conflicts of interest to declare.
Austrian Fields of Science 2012
- 103006 Chemical physics
- 103018 Materials physics
Keywords
- TOTAL-ENERGY CALCULATIONS
- WAVE BASIS-SET
- EXCESS ELECTRONS
- SINGLE-CRYSTALS
- OXYGEN VACANCY
- GAP STATES
- TIO2
- ANATASE
- TRANSITIONS
- DIOXIDE
Fingerprint
Dive into the research topics of 'Formation and dynamics of small polarons on the rutile TiO2(110) surface'. Together they form a unique fingerprint.Projects
- 2 Finished
-
POLOX: Polarons in oxides: a model hamiltonian and ab initio study
Franchini, C. (Project Lead)
1/05/16 → 30/04/19
Project: Research funding
-
ViCoM II: Vienna Computational Materials Laboratory
Süss, D. (Co-Lead), Kresse, G. (Project Lead), Held, K. (Co-Lead), Verstraete, F. (Co-Lead), Burgdorfer, J. (Project Lead), Mauser, N. (Co-Lead), Blaha, P. (Co-Lead), Mohn, P. (Co-Lead), Podloucky, R. (Co-Lead), Dellago, C. (Co-Lead) & Resch, A. (Admin)
1/06/10 → 30/06/19
Project: Research funding
Activities
- 1 Talk or oral contribution
-
Effects of Polarons on TiO2 Surface
Reticcioli, M. (Speaker)
22 Jan 2018Activity: Talks and presentations › Talk or oral contribution › Science to Science
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