Automated Author Profile

Zhu, Bonan

Department of Materials Science and Metallurgy, University of Cambridge

Current S-Index

1.8

Sum of Dataset Indices for all datasets

Average Dataset Index per Dataset

0.9

Average Dataset Index per dataset

Total Datasets

2

Total datasets for this author

Average FAIR Score

82.7%

Average FAIR Score per dataset

Total Citations

2

Total citations to the author's datasets

Total Mentions

0

Total mentions of the author's datasets

S-Index Interpretation

S-Index Over Time

Cumulative Citations Over Time

Cumulative Mentions Over Time

Datasets

Determining interface structures in vertically aligned nanocomposite films

Vertically aligned nanocomposites (VANs) films have self-assembled pillar-matrix nanostructures. Owing to their large area-to-volume ratios, interfaces in VAN films are expected to play key roles in inducing functional properties, but our understanding is hindered by limited knowledge about their structures. Motivated by the lack of definitive explanation for the experimentally-found enhanced ionic conductivity in Sm-doped-CeO2/SrTiO3 VAN films, we determine the structure at vertical interfaces using random structure searching and explore how it can affect ionic conduction. This record contains the candidate structures and provenance of the DFT validation calculations. Previously unknown interface structures are found, with lower energy than that of an optimized hand-built model. We find a strongly distorted oxygen sub-lattice which gives a complex landscape of vacancy energies. The cation lattice remains similar to the bulk phase but has a localized strain field. The excess energy of the interface is similar to that of high angle grain boundaries in SrTiO3.

Authors

  • Zhu, Bonan ;
  • Schusteritsch, Georg ;
  • Lu, Ping ;
  • MacManus-Driscoll, Judith L. ;
  • Pickard, Chris J.
1 Citation0 Mentions88% FAIR0.9 Dataset Index
10.24435/materialscloud:2019.0025/v12019

Determining interface structures in vertically aligned nanocomposite films

Vertically aligned nanocomposites (VANs) films have self-assembled pillar-matrix nanostructures. Owing to their large area-to-volume ratios, interfaces in VAN films are expected to play key roles in inducing functional properties, but our understanding is hindered by limited knowledge about their structures. Motivated by the lack of definitive explanation for the experimentally-found enhanced ionic conductivity in Sm-doped-CeO2/SrTiO3 VAN films, we determine the structure at vertical interfaces using random structure searching and explore how it can affect ionic conduction. This record contains the candidate structures and provenance of the DFT validation calculations. Previously unknown interface structures are found, with lower energy than that of an optimized hand-built model. We find a strongly distorted oxygen sub-lattice which gives a complex landscape of vacancy energies. The cation lattice remains similar to the bulk phase but has a localized strain field. The excess energy of the interface is similar to that of high angle grain boundaries in SrTiO3.

Authors

  • Zhu, Bonan ;
  • Schusteritsch, Georg ;
  • Lu, Ping ;
  • MacManus-Driscoll, Judith L. ;
  • Pickard, Chris J.
1 Citation0 Mentions77% FAIR0.8 Dataset Index
10.24435/materialscloud:ff-0p2019