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
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
Bowler D
(2019)
Highly accurate local basis sets for large-scale DFT calculations in conquest
in Japanese Journal of Applied Physics
Baker J
(2019)
First-principles soft-mode lattice dynamics of PbZr 0.5 Ti 0.5 O 3 and shortcomings of the virtual crystal approximation
in Physical Review B
Brázdová V
(2017)
Exact location of dopants below the Si(001):H surface from scanning tunneling microscopy and density functional theory
in Physical Review B
Hart M
(2017)
Encapsulation and Polymerization of White Phosphorus Inside Single-Wall Carbon Nanotubes.
in Angewandte Chemie (International ed. in English)
Hart M
(2017)
Encapsulation and Polymerization of White Phosphorus Inside Single-Wall Carbon Nanotubes
in Angewandte Chemie
Longobardi M
(2017)
Electronic coupling between Bi nanolines and the Si(001) substrate: An experimental and theoretical study
in Physical Review B
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
Murata K
(2017)
Dopant activation mechanism of Bi wire-d-doping into Si crystal, investigated with wavelength dispersive fluorescence x-ray absorption fine structure and density functional theory.
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
| 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 |