Evidence map›Paper›PMID 42504641›Full record

ReviewChemical communications (Cambridge, England)2026

Explicit atomistic modelling of solid-solid interfaces: from construction to design.

Anastasia K Lavrinenko, James A Quirk, James A Dawson, Marnix Wagemaker, Alexandros Vasileiadis

Abstract readReview
In one paragraph

Review in Chemical communications (Cambridge, England), 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.

0numbers the graph read from it
0cells of the map it votes in
0citing papers in PubMed
–field-weighted citation impact
1 · What the graph read from it

What it found

Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.

The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.

2 · The registry

The trial behind it

Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.

Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.

3 · Its place in the literature

Who cites it

0 citing papers in PubMed.

No citing paper in PubMed yet.

4 · The record

Corrections and comments

PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.

5 · Who and what money

Authors and funding

5 authors.

Anastasia K LavrinenkoStorage of Electrochemical Energy, Department of Radiation Science and Technology, Faculty of Applied Sciences, Delft University of Technology, Mekelweg 15, Delft, The Netherlands. a.vasileiadis@tudelft.nl.ORCID http://orcid.org/0000-0001-9863-8325
James A QuirkSchool of Engineering, Physics and Mathematics, Northumbria University, Newcastle upon Tyne, NE1 8QH, UK.
James A DawsonChemistry - School of Natural and Environmental Sciences, Newcastle University, Newcastle upon Tyne, NE1 7RU, UK.ORCID http://orcid.org/0000-0002-3946-5337
Marnix WagemakerStorage of Electrochemical Energy, Department of Radiation Science and Technology, Faculty of Applied Sciences, Delft University of Technology, Mekelweg 15, Delft, The Netherlands. a.vasileiadis@tudelft.nl.ORCID http://orcid.org/0000-0003-3851-1044
Alexandros VasileiadisStorage of Electrochemical Energy, Department of Radiation Science and Technology, Faculty of Applied Sciences, Delft University of Technology, Mekelweg 15, Delft, The Netherlands. a.vasileiadis@tudelft.nl.ORCID http://orcid.org/0000-0001-9761-7936

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

Solid-solid interfaces play a critical role in the performance of energy storage systems, catalysts, and electronic devices, yet their atomic-scale structure and behaviour remain challenging to probe experimentally. Explicit atomistic modelling provides a powerful approach for investigating interfaces by directly constructing and simulating contacting phases, enabling the calculation of interfacial energetics, electronic structure, charge transfer, stability, and transport processes. This Review summarises the methodology and applications of explicit interface modelling, including interface construction strategies, properties accessible from atomistic simulations, and recent advances enabled by machine-learned interatomic potentials that extend simulations to larger time and length scales. We also discuss how computational results can be interpreted and validated using experimental characterisation techniques, and highlight current challenges and emerging opportunities in predictive interface modelling and materials design.

Identifiers

PMID42504641
PMCPMC13403073

What OpenQuestion holds

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LicenceCC BY
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Registered trials

None linked

Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.