Support for the UKCP consortium
Lead Research Organisation:
University College London
Department Name: Physics and Astronomy
Abstract
Abstracts are not currently available in GtR for all funded research. This is normally because the abstract was not required at the time of proposal submission, but may be because it included sensitive information such as personal details.
Organisations
Publications
Baker J
(2020)
Polar Morphologies from First Principles: PbTiO 3 Films on SrTiO 3 Substrates and the p(2×?) Surface Reconstruction
in Advanced Theory and Simulations
Hart M
(2017)
Encapsulation and Polymerization of White Phosphorus Inside Single-Wall Carbon Nanotubes
in Angewandte Chemie
Hart M
(2017)
Encapsulation and Polymerization of White Phosphorus Inside Single-Wall Carbon Nanotubes.
in Angewandte Chemie (International ed. in English)
Baker J
(2020)
The pseudoatomic orbital basis: electronic accuracy and soft-mode distortions in ABO 3 perovskites
in Electronic Structure
Bowler D
(2019)
Highly accurate local basis sets for large-scale DFT calculations in conquest
in Japanese Journal of Applied Physics
Villarreal R
(2019)
Towards surface diffusion potential mapping on atomic length scale
in Journal of Applied Physics
Sagisaka K
(2017)
Importance of bulk states for the electronic structure of semiconductor surfaces: implications for finite slabs.
in Journal of physics. Condensed matter : an Institute of Physics journal
Kumarasinghe C
(2020)
DFT study of undoped and As-doped Si nanowires approaching the bulk limit.
in Journal of physics. Condensed matter : an Institute of Physics journal
O'Rourke C
(2018)
Structural properties of silicon-germanium and germanium-silicon core-shell nanowires.
in Journal of physics. Condensed matter : an Institute of Physics journal
Shenton JK
(2017)
Effects of the Hubbard U on density functional-based predictions of BiFeO3 properties.
in Journal of physics. Condensed matter : an Institute of Physics journal
Description | The key findings of this work is recorded against grant ref EP/P022561/1 |
Exploitation Route | See grant ref EP/P022561/1 |
Sectors | Energy,Environment,Manufacturing, including Industrial Biotechology |
Description | The impact of this work is recorded against grant ref EP/P022561/1 |
First Year Of Impact | 2021 |
Sector | Energy,Environment,Manufacturing, including Industrial Biotechology |
Impact Types | Economic |