Prof. Dr. Ulrich Aschauer

SNF-Förderprofessur (bis 31.12.2021)

Departement für Chemie, Biochemie und Pharmazie

+41 31 684 56 29
Freiestrasse 3
CH-3012 Bern



Work Experience

  • 01/2016 - 12/2021:  SNF Professor, Department of Chemistry and Biochemistry / Department of Chemistry, Biochemistry and Pharmaceutical Sciences (since 01/2021), University of Bern, Bern Switzerland
  • 05/2011 - 12/2015:  Post-Doctoral Researcher in the Group of Nicola Spaldin, Materials Theory, ETH Zürich
  • 11/2008 - 04/2011:  Post-Doctoral Researcher in the Group of Annabella Selloni, Chemistry Department, Princeton University


  • 07/2005 – 10/2008:  Ph.D. in Material Science and Engineering, EPFL, Lausanne, Switzerland
  • 10/2004 – 02/2005:  Master research project in the group of Julian Gale at Curtin University of Technology, Perth, Australia
  • 10/1999 – 04/2005:  B.S. and M.S. in Material Science and Engineering, EPFL, Lausanne, Switzerland


  • 2015:  Swiss National Science Foundation Professorship
  • 2009:  Prix du Professeur René Wasserman, EPFL
  • 2008:  Swiss National Science Foundation Post-Doctoral Fellowship

In our research we apply theoretical electronic structure methods, mainly density functional theory, to investigate transition metal oxides. Main research topics are:

  • Functional quantum materials
  • The role of defects for material properties
  • Surface chemistry and properties of complex transition metal oxides and oxynitrides
  • Defect chemistry under external strain, electric and magnetic fields
Jump to: 2023 | 2022 | 2021 | 2020 | 2019 | 2018 | 2017 | 2016 | 2015 | 2014 | 2013 | 2012 | 2011 | 2010 | 2009 | 2008 | 2006


Ricca, Chiara; Skoropata, Elizabeth; Rossell, Marta D; Erni, Rolf; Staub, Urs; Aschauer, Ulrich (2023). Combined Theoretical and Experimental Study of the Moiré Dislocation Network at the SrTiO3-(La,Sr)(Al,Ta)O3 Interface. ACS applied materials & interfaces, 15(46), pp. 53678-53687. American Chemical Society 10.1021/acsami.3c10958

Liu, Jung-Ching; Li, Chao; Hess, Richard; Chen, Hongyan; Drechsel, Carl; Zhou, Ping; Häner, Robert; Aschauer, Ulrich; Glatzel, Thilo; Decurtins, Silvio; Loss, Daniel; Klinovaja, Jelena; Liu, Shi-Xia; Wulfhekel, Wulf; Meyer, Ernst; Pawlak, Rémy (27 October 2023). Gate-tunable topological superconductivity in a supramolecular electron spin lattice (Cornell University). arXiv 10.48550/arxiv.2310.18134

Ricca, Chiara; Blandenier, Tristan; Werner, Valérie; Wang, Xing; Pokrant, Simone; Aschauer, Ulrich (2023). Conversion of La2Ti2O7 to LaTiO2N via ammonolysis: a first-principles investigation. Physical Chemistry Chemical Physics, 25(30), pp. 20575-20584. Royal Society of Chemistry 10.1039/d3cp02159a

Werner, Valérie; Aschauer, Ulrich; Redhammer, Günther J; Schoiber, Jürgen; Zickler, Gregor A; Pokrant, Simone (2023). Synthesis and Structure of the Double-Layered Sillén-Aurivillius Perovskite Oxychloride La2.1Bi2.9Ti2O11Cl as a Potential Photocatalyst for Stable Visible Light Solar Water Splitting. Inorganic chemistry, 62(17), pp. 6649-6660. American Chemical Society 10.1021/acs.inorgchem.3c00116

Liu, Jung-Ching; Pawlak, Rémy; Wang, Xing; Chen, Hongyan; D’Astolfo, Philipp; Drechsel, Carl; Zhou, Ping; Häner, Robert; Decurtins, Silvio; Aschauer, Ulrich; Liu, Shi-Xia; Wulfhekel, Wulf; Meyer, Ernst (2023). Proximity-Induced Superconductivity in Atomically Precise Nanographene on Ag/Nb(110). ACS materials letters, 5(4), pp. 1083-1090. ACS Publications 10.1021/acsmaterialslett.2c00955

Li, Chao; Kaspar, Christoph; Zhou, Ping; Liu, Jung-Ching; Chahib, Outhmane; Glatzel, Thilo; Häner, Robert; Aschauer, Ulrich; Decurtins, Silvio; Liu, Shi-Xia; Thoss, Michael; Meyer, Ernst; Pawlak, Rémy (2023). Strong signature of electron-vibration coupling in molecules on Ag(111) triggered by tip-gated discharging. Nature Communications, 14(1), p. 5956. Springer Nature 10.1038/s41467-023-41601-2

Ahsan, Aisha; Wang, Xing; Sk, Rejaul; Heydari, Mehdi; Buimaga-Iarinca, Luiza; Wäckerlin, Christian; Lucenti, Elena; Decurtins, Silvio; Cariati, Elena; Jung, Thomas A.; Aschauer, Ulrich; Liu, Shi-Xia (2023). Self-Assembly of N-Rich Triimidazoles on Ag(111): Mixing the Pleasures and Pains of Epitaxy and Strain. Journal of physical chemistry. C, 127(47), pp. 23000-23009. American Chemical Society 10.1021/acs.jpcc.3c03325


D'Astolfo, Philipp; Wang, Xing; Liu, Xunshan; Kisiel, Marcin; Drechsel, Carl; Baratoff, Alexis; Aschauer, Ulrich; Decurtins, Silvio; Liu, Shi-Xia; Pawlak, Rémy; Meyer, Ernst (2022). Energy Dissipation from Confined States in Nanoporous Molecular Networks. ACS nano, 16(10), pp. 16314-16321. American Chemical Society 10.1021/acsnano.2c05333

De Luca, Gabriele; Spring, Jonathan; Kaviani, Moloud; Jöhr, Simon; Campanini, Marco; Zakharova, Anna; Guillemard, Charles; Herrero-Martin, Javier; Erni, Rolf; Piamonteze, Cinthia; Rossell, Marta D; Aschauer, Ulrich; Gibert, Marta (2022). Top-Layer Engineering Reshapes Charge Transfer at Polar Oxide Interfaces. Advanced materials, 34(36), e2203071. Wiley-VCH 10.1002/adma.202203071

Goesten, Maarten G; Xia, Yi; Aschauer, Ulrich; Amsler, Maximilian (2022). Conformational Gap Control in CsTaS3. Journal of the American Chemical Society, 144(8), pp. 3398-3410. American Chemical Society 10.1021/jacs.1c10947

Liu, Xunshan; Matej, Adam; Kratky, Tim; Mendieta-Moreno, Jesús I.; Günther, Sebastian; Mutombo, Pingo; Decurtins, Silvio; Aschauer, Ulrich; Repp, Jascha; Jelinek, Pavel; Liu, Shi-Xia; Patera, Laerte L. (2022). Exploiting Cooperative Catalysis for the On‐surface Synthesis of Linear Heteroaromatic Polymers via Selective C‐H Activation. Angewandte Chemie (International ed.), 61(5), e202112798. Wiley-VCH 10.1002/anie.202112798

Vonrüti, Nathalie; Rao, Reshma; Giordano, Livia; Shao-Horn, Yang; Aschauer, Ulrich (2022). Implications of Nonelectrochemical Reaction Steps on the Oxygen Evolution Reaction: Oxygen Dimer Formation on Perovskite Oxide and Oxynitride Surfaces. ACS Catalysis, 12(2), pp. 1433-1442. American Chemical Society 10.1021/acscatal.1c03308

Kaviani, Moloud; Aschauer, Ulrich (2022). Surface and interface effects in oxygen-deficient SrMnO₃ thin films grown on SrTiO₃. Physical Chemistry Chemical Physics, 24(6), pp. 3951-3957. Royal Society of Chemistry 10.1039/D1CP04998D

Bouri, Maria; Niederhauser, Nicolas; Künzli, Benjamin; Amsler, Maximilian; Aschauer, Ulrich (2022). Oxygen Evolution Reaction Activity of Sr₂Ta₂O₇ and Sr₂Nb₂O₇ Surfaces. Journal of physical chemistry. C, 126(15), pp. 6556-6563. American Chemical Society 10.1021/acs.jpcc.2c00649

Ricca, Chiara; Aschauer, Ulrich (2022). Photochemical anisotropy and direction-dependent optical absorption in semiconductors. The journal of chemical physics, 156(15), p. 154703. American Institute of Physics AIP 10.1063/5.0087293


Zhou, Ping; Aschauer, Ulrich; Decurtins, Silvio; Feurer, Thomas; Häner, Robert; Liu, Shi-Xia (2021). Effect of tert-butyl groups on electronic communication between redox units in tetrathiafulvalene-tetraazapyrene triads. Chemical communications, 57(96), pp. 12972-12975. Royal Society of Chemistry 10.1039/D1CC05671A

Zhou, Ping; Aschauer, Ulrich; Feurer, Thomas; Häner, Robert; Liu, Shi-Xia (13 September 2021). Photo-induced Charge Transfer in Azapyrene-Tetrathiafulvalene Triads (Unpublished). In: NCCR MUST 2021.

Zhou, Ping; Aschauer, Ulrich; Feurer, Thomas; Häner, Robert; Liu, Shi-Xia (10 September 2021). Photo-induced Charge Transfer in Azapyrene-Tetrathiafulvalene Triads (Unpublished). In: SCS Fall Meeting 2021.

YazdanYar, Azade; Buswell, Léa; Pantaloni, Delphin; Aschauer, Ulrich; Bowen, Paul (2021). Interactions of Tris with rutile surfaces and consequences for in vitro bioactivity testing. Open ceramics, 7, p. 100173. Elsevier 10.1016/j.oceram.2021.100173

Bouri, Maria; Ninova, Silviya; Ouhbi, Hassan; Vonrüti, Nathalie; Aschauer, Ulrich (2021). Surface Chemistry of Perovskite Oxynitride Photocatalysts: A Computational Perspective. CHIMIA, 75(3), pp. 202-207. Schweizerische Chemische Gesellschaft 10.2533/chimia.2021.202

Pawlak, Rémy; Liu, Xunshan; Ninova, Silviya; D'astolfo, Philipp; Drechsel, Carl; Liu, Jung-Ching; Häner, Robert; Decurtins, Silvio; Aschauer, Ulrich; Liu, Shi-Xia; Meyer, Ernst (2021). On‐Surface Synthesis of Nitrogen‐Doped Kagome Graphene. Angewandte Chemie (International ed.), 60(15), pp. 8370-8375. Wiley-VCH 10.1002/anie.202016469

Stotskyi, Vasyl; Aschauer, Ulrich (2021). Water Oxidation Catalysis on the Nitrogen-Deficient SrNbO₂N (001) Surface. Journal of physical chemistry. C, 125(4), pp. 2424-2430. American Chemical Society 10.1021/acs.jpcc.0c09445

Franklin, J.; Xu, B.; Davino, D.; Mahabir, A.; Balatsky, A. V.; Aschauer, U.; Sochnikov, I. (2021). Giant Grüneisen parameter in a superconducting quantum paraelectric. Physical Review B, 103(21), p. 214511. American Physical Society APS 10.1103/PhysRevB.103.214511

Liu, Yongpeng; Bouri, Maria; Yao, Liang; Xia, Meng; Mensi, Mounir; Grätzel, Michael; Sivula, Kevin; Aschauer, Ulrich; Guijarro, Néstor (2021). Identifying Reactive Sites and Surface Traps in Chalcopyrite Photocathodes. Angewandte Chemie (International ed.), 60(44), pp. 23651-23655. Wiley-VCH 10.1002/anie.202108994

Ricca, Chiara; Berkowitz, Danielle; Aschauer, Ulrich (2021). Ferroelectricity promoted by cation/anion divacancies in SrMnO₃. Journal of materials chemistry C, 9(38), pp. 13321-13330. Royal Society of Chemistry 10.1039/D1TC02317A

Ricca, Chiara; Aschauer, Ulrich (2021). Interplay between polarization, strain, and defect pairs in Fe-doped SrMnO3−δ. Physical review research, 3(3) American Physical Society 10.1103/PhysRevResearch.3.033237

Deng, Shiqing; Li, Jun; Småbråten, Didrik R.; Shen, Shoudong; Wang, Wenbin; Zhao, Jun; Tao, Jing; Aschauer, Ulrich; Chen, Jun; Zhu, Yimei; Zhu, Jing (2021). Critical Role of Sc Substitution in Modulating Ferroelectricity in Multiferroic LuFeO₃. Nano letters, 21(15), pp. 6648-6655. American Chemical Society 10.1021/acs.nanolett.1c02123

Lan, Zhenyun; Småbråten, Didrik René; Xiao, Chengcheng; Vegge, Tejs; Aschauer, Ulrich; Castelli, Ivano E. (2021). Enhancing Oxygen Evolution Reaction Activity by Using Switchable Polarization in Ferroelectric InSnO₂N. ACS Catalysis, 11(20), pp. 12692-12700. American Chemical Society 10.1021/acscatal.1c03737

Ricca, Chiara; Grad, Lisa; Hengsberger, Matthias; Osterwalder, Jürg; Aschauer, Ulrich (2021). Importance of surface oxygen vacancies for ultrafast hot carrier relaxation and transport in Cu₂O. Physical review research, 3(4) American Physical Society 10.1103/PhysRevResearch.3.043219

Flores, Eibar; Mozhzhukhina, Nataliia; Aschauer, Ulrich; Berg, Erik J. (2021). Operando Monitoring the Insulator–Metal Transition of LiCoO₂. ACS applied materials & interfaces, 13(19), pp. 22540-22548. American Chemical Society 10.1021/acsami.1c04383


Ricca, Chiara; Niederhauser, Nicolas; Aschauer, Ulrich (2020). Local polarization in oxygen-deficient LaMnO₃ induced by charge localization in the Jahn-Teller distorted structure. Physical review research, 2(4) American Physical Society 10.1103/PhysRevResearch.2.042040

Ninova, Silviya; Strach, Michal; Buonsanti, Raffaella; Aschauer, Ulrich (2020). Suitability of Cu-substituted β-Mn₂V₂O₇ and Mn-substituted β-Cu₂V₂O₇ for photocatalytic water-splitting. The journal of chemical physics, 153(8), 084704. American Institute of Physics AIP 10.1063/5.0019306

Zhou, P.; Aschauer, U.; Feurer, T.; Häner, R.; Liu, S. (25 August 2020). A donor-acceptor ensemble: merging of TTF and dipyrrolylquinoxaline difluoroborate chemistry (Unpublished). In: SCS Fall Meeting 2020.

Vonrüti, Nathalie; Aschauer, Ulrich (2020). Catalysis on oxidized ferroelectric surfaces—Epitaxially strained LaTiO₂N and BaTiO₃ for photocatalytic water splitting. The Journal of Chemical Physics, 152(2), 024701. American Institute of Physics 10.1063/1.5135751

Bouri, Maria; Aschauer, Ulrich (2020). Suitability of Different Sr₂TaO₃N Surface Orientations for Photocatalytic Water Oxidation. Chemistry of materials, 32(1), pp. 75-84. American Chemical Society 10.1021/acs.chemmater.9b02294

Flores, Eibar; Novák, Petr; Aschauer, Ulrich; Berg, Erik J. (2020). Cation Ordering and Redox Chemistry of Layered Ni-Rich LixNi1–2yCoyMnyO2: An Operando Raman Spectroscopy Study. Chemistry of materials, 32(1), pp. 186-194. American Chemical Society 10.1021/acs.chemmater.9b03202

Pawlak, Rémy; Liu, Xunshan; Ninova, Silviya; D’Astolfo, Philipp; Drechsel, Carl; Sangtarash, Sara; Häner, Robert; Decurtins, Silvio; Sadeghi, Hatef; Lambert, Colin J.; Aschauer, Ulrich; Liu, Shi-Xia; Meyer, Ernst (2020). Bottom-up Synthesis of Nitrogen-Doped Porous Graphene Nanoribbons. Journal of the American Chemical Society, 142(29), pp. 12568-12573. American Chemical Society 10.1021/jacs.0c03946

Ricca, Chiara; Timrov, Iurii; Cococcioni, Matteo; Marzari, Nicola; Aschauer, Ulrich (2020). Self-consistent DFT+U+V study of oxygen vacancies in SrTiO₃. Physical review research, 2(2) American Physical Society 10.1103/PhysRevResearch.2.023313

Ninova, Silviya; Pokrant, Simone; Aschauer, Ulrich (2020). Surface Orientation and Structure of LaTiO₂N Nanoparticles. ACS applied energy materials, 3(6), pp. 5867-5873. ACS Publications 10.1021/acsaem.0c00777

Zhou, Ping; Aschauer, Ulrich; Decurtins, Silvio; Feurer, Thomas; Häner, Robert; Liu, Shi-Xia (2020). Chemical control of photoinduced charge-transfer direction in a tetrathiafulvalene-fused dipyrrolylquinoxaline difluoroborate dyad. Chemical communications, 56(87), pp. 13421-13424. Royal Society of Chemistry 10.1039/D0CC05736C

Primasová, Hedvika; Ninova, Silviya; De Capitani, Mario; Daepp, Jana; Aschauer, Ulrich; Furrer, Julien (2020). Dinuclear thiolato-bridged arene ruthenium complexes: from reaction conditions and mechanism to synthesis of new complexes. RSC advances, 10(66), pp. 40106-40116. Royal Society of Chemistry 10.1039/D0RA08146A

Burns, Eric; Aschauer, Ulrich; Döbeli, Max; Schneider, Christof W.; Pergolesi, Daniele; Lippert, Thomas (2020). LaTiO₂N crystallographic orientation control significantly increases visible-light induced charge extraction. Journal of materials chemistry. A, 8(43), pp. 22867-22873. Royal Society of Chemistry 10.1039/D0TA08117E


Ouhbi, Hassan; Aschauer, Ulrich Johannes (2019). Water oxidation catalysis on reconstructed NaTaO₃ (001) surfaces. Journal of materials chemistry. A, 7(28), pp. 16770-16776. Royal Society of Chemistry 10.1039/C9TA04001C

Imparato, Claudio; Fantauzzi, Marzia; Passiu, Cristiana; Rea, Ilaria; Ricca, Chiara; Aschauer, Ulrich Johannes; Sannino, Filomena; D’Errico, Gerardino; De Stefano, Luca; Rossi, Antonella; Aronne, Antonio (2019). Unraveling the Charge State of Oxygen Vacancies in ZrO2–x on the Basis of Synergistic Computational and Experimental Evidence. Journal of physical chemistry. C, 123(18), pp. 11581-11590. American Chemical Society 10.1021/acs.jpcc.9b00411

Ricca, Chiara; Timrov, Iurii; Cococcioni, Matteo; Marzari, Nicola; Aschauer, Ulrich Johannes (2019). Self-consistent site-dependent DFT+U study of stoichiometric and defective SrMnO₃. Physical review. B - condensed matter and materials physics, 99(9), 094102. American Physical Society 10.1103/PhysRevB.99.094102

Ninova, Silviya; Aschauer, Ulrich Johannes (2019). Anion-order driven polar interfaces at LaTiO₂N surfaces. Journal of materials chemistry. A, 7(5), pp. 2129-2134. Royal Society of Chemistry 10.1039/C8TA10230A

Aschauer, Ulrich Johannes; Vonrüti, Nathalie Simone; Spaldin, Nicola A. (2019). Strain-induced heteronuclear charge disproportionation in EuMnO₃. Physical review materials, 3(1), 013601. American Physical Society 10.1103/PhysRevMaterials.3.013601

Mantella, Valeria; Ninova, Silviya; Saris, Seryio; Loiudice, Anna; Aschauer, Ulrich Johannes; Buonsanti, Raffaella (2019). Synthesis and Size-Dependent Optical Properties of Intermediate Band Gap Cu₃VS₄ Nanocrystals. Chemistry of materials, 31(2), pp. 532-540. American Chemical Society 10.1021/acs.chemmater.8b04610

Ramirez, Mariola O.; Lummen, Tom T. A.; Carrasco, Irene; Barnes, Eftihia; Aschauer, Ulrich Johannes; Stefanska, Dagmara; Sen Gupta, Arnab; de las Heras, Carmen; Akamatsu, Hirofumi; Holt, Martin; Molina, Pablo; Barnes, Andrew; Haislmaier, Ryan C.; Deren, Przemyslaw J.; Prieto, Carlos; Bausá, Luisa E.; Spaldin, Nicola A.; Gopalan, Venkatraman (2019). Emergent room temperature polar phase in CaTiO₃ nanoparticles and single crystals. APL materials, 7(1), 011103. American Institute of Physics 10.1063/1.5078706

Hussain, Hadeel; Ahmed, Mahmoud H. M.; Torrelles, Xavier; Grinter, David C.; Cabailh, Gregory; Bikondoa, Oier; Nicklin, Christopher; Aschauer, Ulrich Johannes; Lindsay, Robert; Thornton, Geoff (2019). Water-Induced Reversal of the TiO₂ (011)-(2 × 1) Surface Reconstruction: Observed with in Situ Surface X-ray Diffraction. Journal of physical chemistry. C, 123(22), pp. 13545-13550. American Chemical Society 10.1021/acs.jpcc.9b04383

Ouhbi, Hassan; Aschauer, Ulrich Johannes (2019). Nitrogen Loss and Oxygen Evolution Reaction Activity of Perovskite Oxynitrides. ACS Materials Letters, 1(1), pp. 52-57. American Chemical Society 10.1021/acsmaterialslett.9b00088

Vonrüti, Nathalie Simone; Aschauer, Ulrich Johannes (2019). Band-gap engineering in AB(OxS1−x)₃ perovskite oxysulfides: a route to strongly polar materials for photocatalytic water splitting. Journal of materials chemistry. A, 7(26), pp. 15741-15748. Royal Society of Chemistry 10.1039/C9TA03116B

Bizzotto, Francesco; Ouhbi, Hassan; Fu, Yongchun; Wiberg, Gustav K. H.; Aschauer, Ulrich Johannes; Arenz, Matthias (2019). Examining the Structure Sensitivity of the Oxygen Evolution Reaction on Pt Single‐Crystal Electrodes: A Combined Experimental and Theoretical Study. ChemPhysChem, 20(22), pp. 3154-3162. Wiley-VCH 10.1002/cphc.201900193

Vonrüti, Nathalie; Aschauer, Ulrich (2019). The role of metastability in enhancing water-oxidation activity. Physical Chemistry Chemical Physics, 21(44), pp. 24354-24360. Royal Society of Chemistry 10.1039/C9CP04859F


Gaudy, Yannick; Dilger, Stefan; Landsmann, Steve; Aschauer, Ulrich Johannes; Pokrant, Simone; Haussener, Sophia (2018). Determination and optimization of material parameters of particle-based LaTiO₂N photoelectrodes. Journal of materials chemistry. A, 6(36), pp. 17337-17352. Royal Society of Chemistry 10.1039/C8TA03649G

Porer, M.; Fechner, M.; Bothschafter, E. M.; Rettig, L.; Savoini, M.; Esposito, V.; Rittmann, J.; Kubli, M.; Neugebauer, M. J.; Abreu, E.; Kubacka, T.; Huber, T.; Lantz, G.; Parchenko, S.; Grübel, S.; Paarmann, A.; Noack, J.; Beaud, P.; Ingold, G.; Aschauer, Ulrich Johannes; ... (2018). Ultrafast Relaxation Dynamics of the Antiferrodistortive Phase in Ca Doped SrTiO₃. Physical review letters, 121(5), 055701. American Physical Society 10.1103/PhysRevLett.121.055701

Primasova, Hedvika; Ninova, Silviya; Aschauer, Ulrich Johannes; Furrer, Julien (2018). Synthetic route of trithiolato-bridged dinuclear arene ruthenium(II) complexes [(h6- p-MeC6H4Pri)2Ru2(m-SR)3]+ : DFT calculations and synthesis of previously unreported complexes. CHIMIA, 72(7/8), p. 537. Schweizerische Chemische Gesellschaft

Ouhbi, Hassan; Aschauer, Ulrich Johannes (2018). Water oxidation chemistry of oxynitrides and oxides: Comparing NaTaO₃ and SrTaO₂N. Surface science, 677, pp. 258-263. Elsevier 10.1016/j.susc.2018.07.013

YazdanYar, Azade; Aschauer, Ulrich Johannes; Bowen, Paul (2018). Adsorption Free Energy of Single Amino Acids at the Rutile (110)/Water Interface Studied by Well-Tempered Metadynamics. Journal of physical chemistry. C, 122(21), pp. 11355-11363. American Chemical Society 10.1021/acs.jpcc.7b12614

Vonrüti, Nathalie Simone; Aschauer, Ulrich Johannes (2018). Anion Order and Spontaneous Polarization in LaTiO₂N Oxynitride Thin Films. Physical review letters, 120(4), 046001-1-046001-5. American Physical Society 10.1103/PhysRevLett.120.046001

Bouri, Maria; Aschauer, Ulrich Johannes (2018). Bulk and surface properties of the Ruddlesden–Popper oxynitride Sr₂TaO₃N. Physical Chemistry Chemical Physics, 20(4), pp. 2771-2776. Royal Society of Chemistry 10.1039/c7cp06791g

YazdanYar, Azade; Aschauer, Ulrich Johannes; Bowen, Paul (2018). Interaction of biologically relevant ions and organic molecules with titanium oxide (rutile) surfaces: A review on molecular dynamics studies. Colloids and Surfaces B: Biointerfaces, 161, pp. 563-577. Elsevier 10.1016/j.colsurfb.2017.11.004

Aschauer, Ulrich Johannes (2018). Surface and Defect Chemistry of Oxide Materials. CHIMIA, 72(5), pp. 286-290. Schweizerische Chemische Gesellschaft 10.2533/chimia.2018.286

Flores, Eibar; Vonrüti, Nathalie Simone; Novák, Petr; Aschauer, Ulrich Johannes; Berg, Erik J. (2018). Elucidation of LixNi0.8Co0.15Al0.05O2 Redox Chemistry by Operando Raman Spectroscopy. Chemistry of materials, 30(14), pp. 4694-4703. American Chemical Society 10.1021/acs.chemmater.8b01384

Vonrüti, Nathalie Simone; Aschauer, Ulrich Johannes (2018). Epitaxial strain dependence of band gaps in perovskite oxynitrides compared to perovskite oxides. Physical review materials, 2(10) American Physical Society 10.1103/PhysRevMaterials.2.105401


Balajka, Jan; Aschauer, Ulrich Johannes; Mertens, Stijn F. L.; Selloni, Annabella; Schmid, Michael; Diebold, Ulrike (2017). Surface Structure of TiO₂ Rutile (011) Exposed to Liquid Water. Journal of physical chemistry. C, 121(47), pp. 26424-26431. American Chemical Society 10.1021/acs.jpcc.7b09674

Bonvin, Debora; Bastiaansen, Jessica; Aschauer, Ulrich Johannes; Stuber, Matthias; Hofmann, Heinrich; Mionić Ebersold, Marijana (2017). Versatility of Pyridoxal Phosphate as a Coating of Iron Oxide Nanoparticles. Nanomaterials, 7(8), p. 202. MDPI 10.3390/nano7080202

Chandrasena, Ravini U.; Yang, Weibing; Lei, Qingyu; Delgado-Jaime, Mario U.; Wijesekara, Kanishka D.; Golalikhani, Maryam; Davidson, Bruce A.; Arenholz, Elke; Kobayashi, Keisuke; Kobata, Masaaki; de Groot, Frank M. F.; Aschauer, Ulrich Johannes; Spaldin, Nicola A.; Xi, Xiaoxing; Gray, Alexander X. (2017). Strain-Engineered Oxygen Vacancies in CaMnO₃ Thin Films. Nano letters, 17(2), pp. 794-799. American Chemical Society 10.1021/acs.nanolett.6b03986

Schweiger, Sebastian; Pfenninger, Reto; Bowman, William J.; Aschauer, Ulrich Johannes; Rupp, Jennifer L. M. (2017). Designing Strained Interface Heterostructures for Memristive Devices. Advanced materials, 29(15), p. 1605049. Wiley-VCH 10.1002/adma.201605049

Pichler, Markus; Si, Wenping; Haydous, Fatima; Téllez, Helena; Druce, John; Fabbri, Emiliana; Kazzi, Mario El; Döbeli, Max; Ninova, Silviya; Aschauer, Ulrich Johannes; Wokaun, Alexander; Pergolesi, Daniele; Lippert, Thomas (2017). LaTiOxNy Thin Film Model Systems for Photocatalytic Water Splitting: Physicochemical Evolution of the Solid-Liquid Interface and the Role of the Crystallographic Orientation. Advanced functional materials, 27(20), p. 1605690. Wiley-VCH 10.1002/adfm.201605690

Yu, Hao; Alexander, Duncan T. L.; Aschauer, Ulrich Johannes; Häner, Robert (2017). Synthesis of Responsive Two-Dimensional Polymers via Self-Assembled DNA Networks. Angewandte Chemie (International ed.), 56(18), pp. 5040-5044. Wiley-VCH 10.1002/ange.201701342

Ninova, Silviya; Aschauer, Ulrich Johannes (2017). Surface structure and anion order of the oxynitride LaTiO₂N. Journal of materials chemistry. A, 5(22), pp. 11040-11046. Royal Society of Chemistry 10.1039/C7TA01873H

Bonvin, Debora; Aschauer, Ulrich Johannes; Alexander, Duncan T. L.; Chiappe, Diego; Moniatte, Marc; Hofmann, Heinrich; Mionić Ebersold, Marijana (2017). Protein Corona: Impact of Lymph Versus Blood in a Complex In Vitro Environment. Small, 13(29), p. 1700409. Wiley-VCH 10.1002/smll.201700409


Aschauer, Ulrich Johannes; Spaldin, Nicola A. (2016). Interplay between strain, defect charge state, and functionality in complex oxides. Applied physics letters, 109(3), 031901. American Institute of Physics 10.1063/1.4958716

Aschauer, Ulrich Johannes; Braddell, Roisin; Brechbühl, Sonia A.; Derlet, Peter M.; Spaldin, Nicola A. (2016). Strain-induced structural instability in FeRh. Physical review. B - condensed matter and materials physics, 94(1) American Physical Society 10.1103/PhysRevB.94.014109

Setvin, Martin; Aschauer, Ulrich Johannes; Hulva, Jan; Simschitz, Thomas; Daniel, Benjamin; Schmid, Michael; Selloni, Annabella; Diebold, Ulrike (2016). Following the Reduction of Oxygen on TiO₂ Anatase (101) Step by Step. Journal of the American Chemical Society, 138(30), pp. 9565-9571. American Chemical Society 10.1021/jacs.6b04004

Olsen, Gerhard Henning; Aschauer, Ulrich Johannes; Spaldin, Nicola A.; Selbach, Sverre Magnus; Grande, Tor (2016). Origin of ferroelectric polarization in tetragonal tungsten-bronze-type oxides. Physical review. B - condensed matter and materials physics, 93(18) American Physical Society 10.1103/PhysRevB.93.180101

Cancellieri, C.; Mishchenko, A. S.; Aschauer, Ulrich Johannes; Filippetti, A.; Faber, C.; Barišić, O. S.; Rogalev, V. A.; Schmitt, T.; Nagaosa, N.; Strocov, V. N. (2016). Polaronic metal state at the LaAlO₃/SrTiO₃ interface. Nature communications, 7(1), p. 10386. Nature Publishing Group 10.1038/ncomms10386

Liu, Xunshan; Chen, Songjie; Hauser, Jürg; Laukhin, Vladimir; Decurtins, Silvio; Aschauer, Ulrich Johannes; Liu, Shi-Xia (2016). Low-Dimensional Tin(II) Iodide Perovskite Structures Templated by an Aromatic Heterocyclic Cation. Crystal growth & design, 16(9), pp. 5230-5237. American Chemical Society 10.1021/acs.cgd.6b00790

Marthinsen, Astrid; Faber, Carina; Aschauer, Ulrich Johannes; Spaldin, Nicola A.; Selbach, Sverre M. (2016). Coupling and competition between ferroelectricity, magnetism, strain, and oxygen vacancies in AMnO₃ perovskites. MRS Communications, 6(03), pp. 182-191. Cambridge University Press 10.1557/mrc.2016.30


Edge, Jonathan M.; Kedem, Yaron; Aschauer, Ulrich Johannes; Spaldin, Nicola A.; Balatsky, Alexander V. (2015). Quantum Critical Origin of the Superconducting Dome in SrTiO₃. Physical review letters, 115(24) American Physical Society 10.1103/PhysRevLett.115.247002

Lee, Yeonbae; Liu, Z. Q.; Heron, J. T.; Clarkson, J. D.; Hong, J.; Ko, C.; Biegalski, M. D.; Aschauer, Ulrich Johannes; Hsu, S. L.; Nowakowski, M. E.; Wu, J.; Christen, H. M.; Salahuddin, S.; Bokor, J. B.; Spaldin, N. A.; Schlom, D. G.; Ramesh, R. (2015). Large resistivity modulation in mixed-phase metallic systems. Nature communications, 6(5959), p. 5959. Nature Publishing Group 10.1038/ncomms6959

Aschauer, Ulrich Johannes; Tilocca, Antonio; Selloni, Annabella (2015). Ab initio simulations of the structure of thin water layers on defective anatase TiO₂ (101) surfaces. International Journal of Quantum Chemistry, 115(18), pp. 1250-1257. Wiley 10.1002/qua.24918

Aschauer, Ulrich Johannes; Selloni, Annabella (2015). Adsorption of biomedical coating molecules, amino acids, and short peptides on magnetite (110). The Journal of Chemical Physics, 143(4), 044705. American Institute of Physics 10.1063/1.4927327

Aschauer, Ulrich Johannes; Vonrüti, Nathalie Simone; Spaldin, Nicola A. (2015). Effect of epitaxial strain on cation and anion vacancy formation in MnO. Physical review. B - condensed matter and materials physics, 92(5), 054103. American Physical Society 10.1103/PhysRevB.92.054103

Becher, Carsten; Maurel, Laura; Aschauer, Ulrich Johannes; Lilienblum, Martin; Magén, César; Meier, Dennis; Langenberg, Eric; Trassin, Morgan; Blasco, Javier; Krug, Ingo P.; Algarabel, Pedro A.; Spaldin, Nicola A.; Pardo, José A.; Fiebig, Manfred (2015). Strain-induced coupling of electrical polarization and structural defects in SrMnO₃ films. Nature Nanotechnology, 10(8), pp. 661-665. Nature Publishing Group 10.1038/NNANO.2015.108


Li, Ye-Fei; Aschauer, Ulrich Johannes; Chen, Jia; Selloni, Annabella (2014). Adsorption and Reactions of O₂ on Anatase TiO₂. Accounts of chemical research, 47(11), pp. 3361-3368. American Chemical Society 10.1021/ar400312t

Tewari, Abhishek; Aschauer, Ulrich Johannes; Bowen, Paul (2014). Atomistic Modeling of Effect of Mg on Oxygen Vacancy Diffusion in α-Alumina. Journal of the American Ceramic Society, 97(8), pp. 2596-2601. American Ceramic Society 10.1111/jace.13008

Aschauer, Ulrich Johannes; Spaldin, Nicola A (2014). Competition and cooperation between antiferrodistortive and ferroelectric instabilities in the model perovskite SrTiO₃. Journal of Physics: Condensed Matter, 26(12), p. 122203. Institute of Physics Publishing IOP 10.1088/0953-8984/26/12/122203

Setvin, Martin; Daniel, Benjamin; Aschauer, Ulrich Johannes; Hou, Weiyi; Li, Ye-Fei; Schmid, Michael; Selloni, Annabella; Diebold, Ulrike (2014). Identification of adsorbed molecules via STM tip manipulation: CO, H₂O, and O₂ on TiO₂ anatase (101). Physical Chemistry Chemical Physics, 16(39), pp. 21524-21530. Royal Society of Chemistry 10.1039/c4cp03212h


Aschauer, Ulrich Johannes; Pfenninger, Reto; Selbach, Sverre M.; Grande, Tor; Spaldin, Nicola A. (2013). Strain-controlled oxygen vacancy formation and ordering in CaMnO₃. Physical review. B - condensed matter and materials physics, 88(5), 054111. American Physical Society 10.1103/PhysRevB.88.054111

Setvin, M.; Aschauer, Ulrich Johannes; Scheiber, P.; Li, Y.-F.; Hou, W.; Schmid, M.; Selloni, A.; Diebold, U. (2013). Reaction of O₂ with Subsurface Oxygen Vacancies on TiO₂ Anatase (101). Science, 341(6149), pp. 988-991. American Association for the Advancement of Science 10.1126/science.1239879


Aschauer, Ulrich Johannes; Selloni, Annabella (2012). Hydrogen interaction with the anatase TiO₂(101) surface. Physical Chemistry Chemical Physics, 14(48), pp. 16595-16602. Royal Society of Chemistry 10.1039/c2cp42288c

Palacios, M.; Bowen, P.; Kappl, M.; Butt, H. J.; Stuer, M.; Pecharromán, C.; Aschauer, Ulrich Johannes; Puertas, F. (2012). Repulsion forces of superplasticizers on ground granulated blast furnace slag in alkaline media, from AFM measurements to rheological properties. Materiales de Construcción, 62(308), pp. 489-513. Consejo Superior de Investigaciones Científicas (CSIC) 10.3989/mc.2012.01612

Scheiber, Philipp; Fidler, Martin; Dulub, Olga; Schmid, Michael; Diebold, Ulrike; Hou, Weiyi; Aschauer, Ulrich Johannes; Selloni, Annabella (2012). (Sub)Surface Mobility of Oxygen Vacancies at the TiO₂ Anatase (101) Surface. Physical review letters, 109(13), p. 136103. American Physical Society 10.1103/PhysRevLett.109.136103


Galmarini, S.; Aschauer, Ulrich Johannes; Tewari, A.; Aman, Y.; Van Gestel, C.; Bowen, P. (2011). Atomistic modeling of dopant segregation in α-alumina ceramics: Coverage dependent energy of segregation and nominal dopant solubility. Journal of the European Ceramic Society, 31(15), pp. 2839-2852. Elsevier 10.1016/j.jeurceramsoc.2011.07.010

Aschauer, Ulrich Johannes; Burgos-Montes, Olga; Moreno, Rodrigo; Bowen, Paul (2011). Hamaker 2: A Toolkit for the Calculation of Particle Interactions and Suspension Stability and its Application to Mullite Synthesis by Colloidal Methods. Journal of Dispersion Science and Technology, 32(4), pp. 470-479. Taylor & Francis 10.1080/01932691003756738

Aschauer, Ulrich Johannes; Selloni, A. (2011). Structure of the Rutile TiO₂ (011) Surface in an Aqueous Environment. Physical review letters, 106(16), p. 166102. American Physical Society 10.1103/PhysRevLett.106.166102


Aschauer, Ulrich Johannes; Ebert, Johannes; Aimable, Anne; Bowen, Paul (2010). Growth Modification of Seeded Calcite by Carboxylic Acid Oligomers and Polymers: Toward an Understanding of Complex Growth Mechanisms. Crystal growth & design, 10(9), pp. 3956-3963. American Chemical Society 10.1021/cg1005105

Aschauer, Ulrich Johannes; Spagnoli, Dino; Bowen, Paul; Parker, Stephen C. (2010). Growth modification of seeded calcite using carboxylic acids: Atomistic simulations. Journal of Colloid and Interface Science, 346(1), pp. 226-231. Elsevier 10.1016/j.jcis.2010.02.057

Jeangros, Q.; Faes, A.; Wagner, J.B.; Hansen, T.W.; Aschauer, Ulrich Johannes; Van herle, J.; Hessler-Wyser, A.; Dunin-Borkowski, R.E. (2010). In situ redox cycle of a nickel–YSZ fuel cell anode in an environmental transmission electron microscope. Acta Materialia, 58(14), pp. 4578-4589. Elsevier Science 10.1016/j.actamat.2010.04.019

Aschauer, Ulrich Johannes; He, Yunbin; Cheng, Hongzhi; Li, Shao-Chun; Diebold, Ulrike; Selloni, Annabella (2010). Influence of Subsurface Defects on the Surface Reactivity of TiO₂ : Water on Anatase (101). Journal of physical chemistry. C, 114(2), pp. 1278-1284. American Chemical Society 10.1021/jp910492b

Aschauer, Ulrich Johannes; Selloni, Annabella (2010). Influence of subsurface Ti interstitials on the reactivity of anatase (101). In: SPIE NanoScience + Engineering. Physical Chemistry of Interfaces and Nanomaterials IX. San Diego, California. 10.1117/12.862241

Aschauer, Ulrich Johannes; Chen, Jia; Selloni, Annabella (2010). Peroxide and superoxide states of adsorbed O₂ on anatase TiO₂ (101) with subsurface defects. Physical Chemistry Chemical Physics, 12(40), pp. 12956-12960. Royal Society of Chemistry 10.1039/c0cp00116c

Aschauer, Ulrich Johannes; Bowen, Paul (2010). Theoretical Assessment of Nd:YAG Ceramic Laser Performance by Microstructural and Optical Modeling. Journal of the American Ceramic Society, 93(3), pp. 814-820. American Ceramic Society 10.1111/j.1551-2916.2009.03475.x

Stuer, Michael; Zhao, Zhe; Aschauer, Ulrich Johannes; Bowen, Paul (2010). Transparent polycrystalline alumina using spark plasma sintering: Effect of Mg, Y and La doping. Journal of the European Ceramic Society, 30(6), pp. 1335-1343. Elsevier 10.1016/j.jeurceramsoc.2009.12.001


Luebbe, Henning; Van herle, Jan; Hofmann, Heinrich; Bowen, Paul; Aschauer, Ulrich Johannes; Schuler, Andreas; Snijkers, Frans; Schindler, Hans-Juergen; Vogt, Ulrich; Lalanne, Cécile (2009). Cathode-supported micro-tubular SOFCs based on Nd1.95NiO4+δ: Fabrication and characterisation of dip-coated electrolyte layers. Solid State Ionics, 180(11-13), pp. 805-811. North-Holland 10.1016/j.ssi.2009.01.010

Aschauer, Ulrich Johannes; Bowen, P.; Parker, S.C. (2009). Oxygen vacancy diffusion in alumina: New atomistic simulation methods applied to an old problem. Acta Materialia, 57(16), pp. 4765-4772. Elsevier Science 10.1016/j.actamat.2009.06.061


Galmarini, Sandra; Aschauer, Ulrich Johannes; Bowen, Paul; Parker, Stephen C. (2008). Atomistic Simulation of Y-Doped α-Alumina Interfaces. Journal of the American Ceramic Society, 91(11), pp. 3643-3651. American Ceramic Society 10.1111/j.1551-2916.2008.02619.x

Aschauer, Ulrich Johannes; Jones, F.; Richmond, W.R.; Bowen, P.; Rohl, A.L.; Parkinson, G.M.; Hofmann, H. (2008). Growth modification of hematite by phosphonate additives. Journal of Crystal Growth, 310(3), pp. 688-698. Elsevier 10.1016/j.jcrysgro.2007.11.114

Aschauer, Ulrich Johannes; Bowen, Paul; Parker, Stephen C. (2008). Surface and Mirror Twin Grain Boundary Segregation in Nd:YAG: An Atomistic Simulation Study. Journal of the American Ceramic Society, 91(8), pp. 2698-2705. American Ceramic Society 10.1111/j.1551-2916.2008.02502.x


Aschauer, Ulrich Johannes; Bowen, Paul; Parker, Stephen C. (2006). Atomistic Modeling Study of Surface Segregation in Nd:YAG. Journal of the American Ceramic Society, 89(12), pp. 3812-3816. American Ceramic Society 10.1111/j.1551-2916.2006.01325.x


Dr. Xing Wang
Name / Titel
Dr. Xing Wang
Postdoc (July 2020-September 2022), now Postdoc at EPFL
Dr. Chiara Ricca
Name / Titel
Dr. Chiara Ricca
Postdoc (March 2017 - April 2022), now at DOW Chemical
Name / Titel
Dr. Moloud Kaviani
Postdoc (October 2019 - November 2021), now at imec
 Nicolas Niederhauser
Name / Titel
Nicolas Niederhauser
MSc Project (Mai 2020-September 2021), Bachelor Project (February 2019-May 2019), now PhD at Insel Gruppe
Dr. Maximilian Amsler
Name / Titel
Dr. Maximilian Amsler
Postdoc (March 2019 - February 2021), now at Bosch research
 Vasyl Stotskyi
Name / Titel
Vasyl Stotskyi
MSc Student (Jan 2020 - Jan 2021), Research Assistant (June 2019-Dec 2019), now PhD at PSI
Dr. Nathalie Vonrüti
Name / Titel
Dr. Nathalie Vonrüti
PhD Student (January 2017-December 2019), Postdoc (January 2020-March 2020), now at Axpo
Dr. Solveig Stubmo Aamlid
Name / Titel
Dr. Solveig Stubmo Aamlid
Visiting PhD Student (April 2019 - August 2019), now at University of British Columbia
Dr. Maria Bouri
Name / Titel
Dr. Maria Bouri
PhD Student (June 2016-May 2019), now at DOW Chemical
Dr. Hassan Ouhbi
Name / Titel
Dr. Hassan Ouhbi
PhD Student (February 2016-January 2019), now Postdoc at Chalmers University
 Wenjuan Ma
Name / Titel
Wenjuan Ma
Master Project (January 2018-January 2019)
Dr. Silviya Ninova
Name / Titel
Dr. Silviya Ninova
Postdoc, Employee Nr. 1, (January 2016-December 2018), now at FAREVA Unterach
 Simon Nussbaum
Name / Titel
Simon Nussbaum
Bachelor Project (February 2017-May 2017), now PhD at EPFL
 Till Schertenleib
Name / Titel
Till Schertenleib
Bachelor Project (February 2017-May 2017), now PhD at EPFL

Group photos

Group photo Ried (VS) 4.7.2019
Group photo with Piz Daint (the real one), 4.9.2018
After the Santa Run (1.12.2017)
Group photo at Gelmersee, October 2017
Group photo, June 2017
Group photo, February 2017
Group photo, September 2016


Didrik joins the group

Didrik joins the group as a postdoc to work on the defect chemistry of ferroelectric domainwalls. Welcome, Didrik!


Xing joins the group

Xing joins the group as a postdoc to work on oxynitride surface chemistry. Welcome, Xing!


Nathalie defends her PhD and leaves the group

After defending her PhD with flying colors in December, Nathalie leaves the group. Thanks for all the good work and all the best for the future!


Maria defends her PhD

Maria defends her PhD. Congrats Dr. Bouri!


Master projects

Claude and Wenjuan finish their Master projects. Congrats and all the best for the future.


Hassan defends his PhD

Hassan is the first student from the group to defend his Ph.D. Congrats Dr. Ouhbi!


Silviya leaving for Salzburg

Silviya leaves the group after 3 years as a postdoc. Thank you so much for the huge contribution in getting the group going and all the best for the new job in Salzburg.


New collaborator

Prateeti Hazarika joins the group for her PhD, working on defect-domainwall interactions in complex oxides. Welcome, Prateeti!


Poster award for Maria

Maria wins the runner-up award for her poster in the Catalysis session at the Swiss Chemical Society Fall Meeting. Congrats!


Bachelor Project

Benjamin defends his Bachelor project on the effect of layering in oxides on their photocatalytic properties.


First bachelor projects

Simon and Till defended their Bachelor projects with flying colors.
Congratulations to both of them!


New collaborator

Chiara joins the group to work on functionality by defects in oxides funded by the NCCR MARVEL.
Welcome, Chiara!



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