Properties across dimensions: an atomistic computational study of bismuth ferrite surfaces and nanocrystals

Project Information

BFO-Surf

Grant agreement ID: 744027

DOI

10.3030/744027

Project closed

EC signature date 17 March 2017

Start date 1 October 2017

End date 1 August 2020

Funded under

• EXCELLENT SCIENCE - Marie Skłodowska-Curie Actions

Total cost

€ 187 419,60

EU contribution

€ 187 419,60

Coordinated by

EIDGENOESSISCHE TECHNISCHE HOCHSCHULE ZUERICH
Switzerland

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Links to deliverables and publications from FP7 projects, as well as links to some specific result types such as dataset and software, are dynamically retrieved from OpenAIRE .

Publications

Peer reviewed articles (7)

In-situ monitoring of interface proximity effects in ultrathin ferroelectrics

Author(s): Nives Strkalj, Chiara Gattinoni, Alexander Vogel, Marco Campanini, Rea Haerdi, Antonella Rossi, Marta D. Rossell, Nicola A. Spaldin, Manfred Fiebig, Morgan Trassin
Published in: Nature Communications, Issue 11/1, 2020, ISSN 2041-1723
Publisher: Nature Publishing Group
DOI: 10.1038/s41467-020-19635-7

On the happiness of ferroelectric surfaces and its role in water dissociation: The example of bismuth ferrite

Author(s): Ipek Efe, Nicola A. Spaldin, Chiara Gattinoni
Published in: The Journal of Chemical Physics, Issue 154/2, 2021, Page(s) 024702, ISSN 0021-9606
Publisher: American Institute of Physics
DOI: 10.1063/5.0033897

Water (Non-)Interaction with MoO3

Author(s): Head, Ashley R.; Gattinoni, Chiara; Trotochaud, Lena; Yu, Yi; Karslıoğlu, Osman; Pletincx, Sven; Eichhorn, Bryan; Bluhm, Hendrik
Published in: The Journal of Physical Chemistry C, 123 (27), Issue 2, 2019, ISSN 1932-7447
Publisher: American Chemical Society
DOI: 10.3929/ethz-b-000355904

Depolarizing-Field Effects in Epitaxial Capacitor Heterostructures

Author(s): N. Strkalj, G. De Luca, M. Campanini, S. Pal, J. Schaab, C. Gattinoni, N. A. Spaldin, M. D. Rossell, M. Fiebig, M. Trassin
Published in: Physical Review Letters, Issue 123/14, 2019, ISSN 0031-9007
Publisher: American Physical Society
DOI: 10.1103/PhysRevLett.123.147601

Substituent Effects on the Thermal Decomposition of Phosphate Esters on Ferrous Surfaces

Author(s): James P. Ewen, Carlos Ayestarán Latorre, Chiara Gattinoni, Arash Khajeh, Joshua D. Moore, Joseph E. Remias, Ashlie Martini, Daniele Dini
Published in: The Journal of Physical Chemistry C, Issue 124/18, 2020, Page(s) 9852-9865, ISSN 1932-7447
Publisher: American Chemical Society
DOI: 10.1021/acs.jpcc.9b11787

Interface and surface stabilization of the polarization in ferroelectric thin films

Author(s): Chiara Gattinoni, Nives Strkalj, Rea Härdi, Manfred Fiebig, Morgan Trassin, Nicola A. Spaldin
Published in: Proceedings of the National Academy of Sciences, 2020, Page(s) 202007736, ISSN 0027-8424
Publisher: National Academy of Sciences
DOI: 10.1073/pnas.2007736117

Simulating Surfactant–Iron Oxide Interfaces: From Density Functional Theory to Molecular Dynamics

Author(s): Carlos Ayestarán Latorre, James P. Ewen, Chiara Gattinoni, Daniele Dini
Published in: The Journal of Physical Chemistry B, Issue 123/31, 2019, Page(s) 6870-6881, ISSN 1520-6106
Publisher: American Chemical Society
DOI: 10.1021/acs.jpcb.9b02925