Neil L Allan

8PUBLICATIONS

17CO-AUTHORS

Elemental semiconductorsChemical thermodynamics and energeticsTransport properties and non-equilibrium processesElectrical energy generation (incl. renewables, excl. photovoltaics)Condensed matter modelling and density functional theory

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Publications (8)

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|Jun 05, 2026

Energy landscapes and tunable electronic properties of polar and non-polar SiC nanofilms.

|Jan 23, 2026

Disorder and damage recovery in irradiated lithium oxide.

M Yu Lavrentiev, N L Allan, O A Hawkins

|May 29, 2024

Multilevel quantum mechanical calculations show the role of promoter molecules in the dehydration of methanol to dimethyl ether in H-ZSM-5.

Joe Crossley-Lewis, Josh Dunn, Isabel F Hickman

|Sep 22, 2022

Graphene and novel graphitic ZnO and ZnS nanofilms: the energy landscape, non-stoichiometry and water dissociation.

Sergio Conejeros, Neil L Allan, Frederik Claeyssens

|Oct 11, 2021

Cooperative excitations in superionic PbF<sub>2</sub>.

Chris E Mohn, Marcin Krynski, Walter Kob

|Oct 11, 2021

Fast-ion conduction and local environments in BIMEVOX.

Harry J Stroud, Chris E Mohn, Jean-Alexis Hernandez

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Frequent Collaborators

M Yu Lavrentiev

Sergio Conejeros

Chris E Mohn

C Wragg

O A Hawkins

Ignacio G Soko

Francesco S Gentile

William C Mackrodt

Roberto Dovesi

Jean-Alexis Hernandez

Frequent Collaborators

M Yu Lavrentiev

Sergio Conejeros

Chris E Mohn

C Wragg