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Chemistry

D-Index
45
Citations
9064
World Ranking
16302
National Ranking
900

Overview

Neil L. Allan is affiliated with the University of Bristol in the United Kingdom and specializes in materials science, with a particular focus on materials chemistry. Their research spans several subfields including condensed matter physics, geophysics, inorganic chemistry, and atomic and molecular physics and optics.

The primary topics covered in their work include advanced condensed matter physics, diamond and carbon-based materials research, electronic and structural properties of oxides, nuclear materials and radiation effects, boron and carbon nanomaterials research, high-pressure geophysics and materials, as well as semiconductor materials and devices.

Recent publications authored by Neil L. Allan include:

  • Hunting the elusive shallow n-type donor - An ab initio study of Li and N co-doped diamond, 2020, Carbon
  • Lattice dynamics and thermodynamic properties of Y3Al5O12 (YAG), 2021, Journal of Physics and Chemistry of Solids
  • Energy transfer, structural and luminescent properties of the color tunable phosphor Y2WO6:Sm3+, 2020, Journal of Alloys and Compounds
  • Ab initio study of negative electron affinity on the scandium-terminated diamond (100) surface for electron emission devices, 2022, Carbon
  • Interatomic forces breaking carbon-carbon bonds, 2021, Carbon

The most frequent publication venues for their work include:

  • Carbon
  • Philosophical Transactions of the Royal Society A Mathematical Physical and Engineering Sciences
  • Physical Chemistry Chemical Physics
  • Chemistry of Materials
  • SSRN Electronic Journal

Neil L. Allan collaborates regularly with several researchers, including Paul May, Chris E. Mohn, Sergio Conejeros, Judy N. Hart, and Joe Crossley-Lewis. These collaborations have contributed to a body of work that spans multiple disciplines within materials science.

Best Publications

  • Negative thermal expansion

    Gustavo Daniel Barrera;Jorge Alberto Onofrio Bruno;T. H. K. Barron;N. L. Allan

  • Graphitic nanofilms as precursors to wurtzite films: theory.

    Colin L. Freeman;Frederik Claeyssens;Neil L. Allan;John H. Harding

  • Ab initio study of MnO and NiO

    M. D. Towler;N. L. Allan;N. M. Harrison;V. R. Saunders

  • Growth of ZnO thin films—experiment and theory

    Frederik Claeyssens;Colin L. Freeman;Neil L. Allan;Ye Sun

  • Strikingly long C...C distances in 1,2-disubstituted ortho-carboranes and their dianions.

    Josep M. Oliva;Neil L. Allan;Paul V. R. Schleyer;Clara Vinas

  • Chemical Thermodynamics of Materials: Macroscopic and Microscopic Aspects

    Svein Stølen;Tor Grande;Neil L. Allan

  • Wetting of water and water/ethanol droplets on a non-polar surface: A molecular dynamics study

    Mathias Lundgren;Neil L. Allan;Terence Cosgrove;Neil George

  • Modeling of wetting: a study of nanowetting at rough and heterogeneous surfaces

    Mathias Lundgren;Neil L Allan;Terence Cosgrove

  • Atomistic simulation of trace element incorporation into garnets—comparison with experimental garnet-melt partitioning data

    W van Westrenen;N.L Allan;J.D Blundy;J.A Purton

  • Measured energy and water performance of an aspiring low energy/carbon affordable housing site in the UK

    Zachary M. Gill;Michael J. Tierney;Ian M. Pegg;Neil Allan

  • Raman spectroscopy of nanocrystalline diamond : An ab initio approach

    J Filik;Jeremy N. Harvey;N. L Allan;P. W May

  • Ab initio Hartree-Fock calculations of CaO, VO, MnO and NiO

    W. C. Mackrodt;N. M. Harrison;V. R. Saunders;N. L. Allan

  • The embedded many-body expansion for energetics of molecular crystals.

    P. J. Bygrave;Neil L Allan;Frederick R Manby

  • Computer simulation of water molecules at kaolinite and silica surfaces

    M. R. Warne;N. L. Allan;T. Cosgrove

  • Thermodynamics and mechanism of the B 1 - B 2 phase transition in group-I halides and group-II oxides

    C. E. Sims;G. D. Barrera;N. L. Allan;W. C. Mackrodt

  • Molecular dynamics study of wetting of a pillar surface

    Mathias Lundgren;Neil L. Allan;Terence Cosgrove;Neil George

  • Calculated bulk and surface properties of sulfates

    Neil L. Allan;Andrew L. Rohl;C. Richard A. Catlow

  • Corner- versus face-sharing octahedra in AMnO3 perovskites (A=Ca, Sr, and Ba)

    Rune Søndenå;Svein Stølen;P. Ravindran;Tor Grande

  • The ‘zero charge’ partitioning behaviour of noble gases during mantle melting

    Richard A Brooker;Z Du;Jon D Blundy;SP Kelley

  • Displacement cascades in Gd2Ti2O7 and Gd2Zr2O7: a molecular dynamics study

    John A. Purton;Neil L. Allan

  • Computer Modelling in Inorganic Crystallography

    Neil L Allan;WC Mackrodt

  • Topics in Current Chemistry

    Neil L Allan;DL Cooper

Frequent Co-Authors

David L. Cooper
David L. Cooper University of Liverpool
Paul W May
Paul W May University of Bristol
Frederik Claeyssens
Frederik Claeyssens University of Sheffield
Jon D Blundy
Jon D Blundy University of Oxford
John H. Harding
John H. Harding University of Sheffield
Anders Johansson
Anders Johansson Umeå University
Michael N. R. Ashfold
Michael N. R. Ashfold University of Bristol
Fabrizio Scarpa
Fabrizio Scarpa University of Bristol
Terence Cosgrove
Terence Cosgrove University of Bristol

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