Projects per year
Personal profile
Research interests
We use advanced simulation and modelling techniques to understand the properties of solids and surfaces at the atomic level. Historically most attention in chemistry has been paid to molecules, but it is now clear that ideas from atomistic simulation and ab initio quantum chemistry are capable of providing major insights into materials chemistry. Chemical ideas are proving highly valuable in many areas usually associated solely with condensed matter physics.
Our primary interest is in inorganic materials and in particular non-metallic solids, e.g. metal oxides, halides, sulphides. We study many aspects of these fascinating systems which are still not understood after at least half a century of hard work. These include the lattice, defect, electronic, magnetic and surface properties. The theoretical methods include lattice statics and dynamics, Monte Carlo and molecular dynamics and ab initio techniques.
Fingerprint Dive into the research topics where Neil L Allan is active. These topic labels come from the works of this person. Together they form a unique fingerprint.
Network
Recent external collaboration on country level. Dive into details by clicking on the dots.
Projects
Design of nanoparticles for removal of mercury from aqueous environments
1/11/17 → 31/03/18
Project: Research
Research Output
Energy transfer, structural and luminescent properties of the color tunable phosphorY2WO6:Sm3+
Espinoza, D., Allan, N. L., Castillo, R., Conejeros, S., Brito, I., Martin, I. R., Alemany, P. & Llanos, J., 1 May 2020, In : Journal of Alloys and Compounds. 835, 155381.Research output: Contribution to journal › Article (Academic Journal)
Open Access
Ab initio study of negative electron affinity from light metals on the oxygen-terminated diamond (1 1 1) surface
May, P., Allan, N. & James, M., 24 Jul 2019, In : Journal of Physics Condensed Matter. 31, 29, 1 p.Research output: Contribution to journal › Article (Academic Journal)
Open Access
File
GaP-ZnS Multilayer Films: Visible-Light Photoelectrodes by Interface Engineering
Park, C. K., Gharavi, P. S. M., Kurnia, F., Zhang, Q., Toe, C. Y., Al-Farsi, M., Allan, N., Yao, Y., Xie, L., He, J., Ng, Y. H., Valanoor, N. & Hart, J., 17 Jan 2019, In : Journal of Physical Chemistry C. 123, 6, p. 3336-3342 7 p.Research output: Contribution to journal › Article (Academic Journal)
Open Access
File
Datasets
kMC paper
May, P. W. (Creator), Harvey, J. (Creator), Rodgers, J. (Creator) & Allan, N. L. (Creator), University of Bristol, 18 May 2015
DOI: 10.5523/bris.wt7r8qt5vfwv1vs655fdqtkfl, http://data.bris.ac.uk/data/dataset/wt7r8qt5vfwv1vs655fdqtkfl
Dataset
Data from Negative Electron Affinity arising from Aluminium on the Diamond (100) Surface
May, P. W. (Creator), Allan, N. L. (Contributor), James, M. (Contributor) & Croot, A. (Contributor), University of Bristol, 17 Apr 2018
DOI: 10.5523/bris.2fceiuzvtolvl2jd1ll285tzrz, http://data.bris.ac.uk/data/dataset/2fceiuzvtolvl2jd1ll285tzrz
Dataset
Piezoelectric effects in boron nitride nanotubes predicted by atomistic finite element method and molecular mechanics
Allan, N. L. (Creator), Tolladay, M. (Creator), Ivanov, D. (Creator) & Scarpa, F. L. (Creator), University of Bristol, 23 Jun 2017
DOI: 10.5523/bris.5gwmd3obsuzr2ghlnp5f60fk9, http://data.bris.ac.uk/data/dataset/5gwmd3obsuzr2ghlnp5f60fk9
Dataset
Prizes
Nanotechnology Highlights of the Year 2017
Scarpa, Fabrizio L (Recipient), Mat Tolladay (Recipient), Ivanov, Dmitry (Recipient) & Allan, Neil L (Recipient), 2017
Prize: Prizes, Medals, Awards and Grants
Activities
- 1 Editorial activity
Modelling solids and their molecular simulation - special issue surfaces (Journal)
Neil L Allan (Editor)
1992
Activity: Publication peer-review and editorial work types › Editorial activity
Supervised Work
Nanostructure modelling for nanocomposite materials
Author: Tolladay, M., 23 Jan 2019Supervisor: Scarpa, F. (Supervisor), Allan, N. (Supervisor) & Ivanov, D. (Supervisor)
Student thesis: Doctoral Thesis › Doctor of Philosophy (PhD)
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