20082018
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Germanium Chemical Compounds
Electronic structure Chemical Compounds
Density functional theory Chemical Compounds
interstitials Physics & Astronomy
Hydrogen Chemical Compounds
electronic structure Physics & Astronomy
germanium Physics & Astronomy
Impurities Chemical Compounds

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Research Output 2008 2018

Open Access
Population dynamics
linkages
Isomers
isomers
Crystals

Bias polarization study of steam electrolysis by composite oxygen electrode Ba0.5Sr0.5Co0.8Fe0.2O3-δ/BaCe0.4Zr0.4Y0.2O3-δ

Yang, T., Shaula, A., Pukazhselvan, D., Ramasamy, D., Deng, J., da Silva, E. L., Duarte, R. & Saraiva, J. A. 1 Dec 2017 In : Applied Surface Science. 424, PART 1, p. 82-86

Research output: Contribution to journalArticle

Open Access
File
Steam
Electrolysis
Polarization
Oxygen
Electrodes
7 Citations

Spontaneous octahedral tilting in the cubic inorganic cesium halide perovskites CsSnX3 and CsPbX3 (X = F, Cl, Br, I)

Yang, R. X., Skelton, J. M., Da Silva, E. L., Frost, J. M. & Walsh, A. 2017 In : Journal of Physical Chemistry Letters. 8, 19, p. 4720-4726 7 p.

Research output: Contribution to journalArticle

Cesium
Lattice vibrations
Tin
Potential energy
Perovskite
7 Citations

Electronic structure of interstitial hydrogen in lutetium oxide from DFT+U calculations and comparison study with μsR spectroscopy

Da Silva, E. L., Marinopoulos, A. G., Vieira, R. B. L., Vilão, R. C., Alberto, H. V., Gil, J. M., Lichti, R. L., Mengyan, P. W. & Baker, B. B. 7 Jul 2016 In : Physical Review B : Condensed Matter and Materials Physics. 94, 1, 014104

Research output: Contribution to journalArticle

Open Access
File
Lutetium
lutetium
Oxides
Electronic structure
Density functional theory
5 Citations

Electronic excitations in molecular solids: bridging theory and experiment

Skelton, J. M., Da Silva, E. L., Crespo-Otero, R., Hatcher, L. E., Raithby, P. R., Parker, S. C. & Walsh, A. 1 Apr 2015 In : Faraday Discussions. 177, p. 181-202 21 p.

Research output: Contribution to journalArticle

Open Access
File
Molecular crystals
electronics
excitation
Experiments
Computational chemistry