Charge transport properties of bulkTa3N5from first principles
- Submitting institution
-
University of Keele
- Unit of assessment
- 12 - Engineering
- Output identifier
- 386
- Type
- D - Journal article
- DOI
-
10.1103/PhysRevB.93.035201
- Title of journal
- Physical Review B
- Article number
- 035201
- First page
- -
- Volume
- 93
- Issue
- 3
- ISSN
- 2469-9950
- Open access status
- Out of scope for open access requirements
- Month of publication
- January
- Year of publication
- 2016
- URL
-
https://journals.aps.org/prb/abstract/10.1103/PhysRevB.93.035201
- Supplementary information
-
-
- Request cross-referral to
- -
- Output has been delayed by COVID-19
- No
- COVID-19 affected output statement
- -
- Forensic science
- No
- Criminology
- No
- Interdisciplinary
- No
- Number of additional authors
-
1
- Research group(s)
-
-
- Proposed double-weighted
- No
- Reserve for an output with double weighting
- No
- Additional information
- This work used state-of-the-art computer simulations to improve the properties of the semiconductor Ta3N5 for use in solar fuels (for the production of hydrogen fuel using water and solar energy). Through the approach used we were able to study the transport properties of Ta3N5 and understand the limitations of this important material and the use of codes reported is now much more widely used in the literature. This work led to a number of invited talks and a presentation at the APS March Meeting 2015.
- Author contribution statement
- -
- Non-English
- No
- English abstract
- -
