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Band gap opening from displacive instabilities in layered covalent-organic frameworks
descriptionPublicationkeyboard_double_arrow_right Article , Preprint 2022Embargo end date: 01 Jan 2022 United Kingdom Publisher:Royal Society of Chemistry (RSC)Funded by:UKRI | EPSRC and SFI Centre for ..., UKRI | Design rules for defect-t..., UKRI | The Materials and Molecul... +1 projects
UKRI| EPSRC and SFI Centre for Doctoral Training in the Advanced Characterisation of Materials (CDT-ACM) ,
UKRI| Design rules for defect-tolerant photovoltaics ,
UKRI| The Materials and Molecular Modelling Hub ,
UKRI| Tier 2 Hub in Materials and Molecular Modelling
Authors: Ju Huang; Matthias J. Golomb; Seán R. Kavanagh; Kasper Tolborg; +2 Authors
Ju Huang; Matthias J. Golomb; Seán R. Kavanagh; Kasper Tolborg; Alex M. Ganose; Aron Walsh;
doi: 10.1039/d2ta02993f , 10.48550/arxiv.2204.13958
arXiv: http://arxiv.org/abs/2204.13958 , 2204.13958
handle: 10044/1/99159
doi: 10.1039/d2ta02993f , 10.48550/arxiv.2204.13958
arXiv: http://arxiv.org/abs/2204.13958 , 2204.13958
handle: 10044/1/99159
Symmetry breaking in covalent organic frameworks (COFs) lowers the energy and increases the valence to conduction band separation of the material.
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Imperial College Lon...arrow_drop_down
Imperial College London: Spiral
Article . 2022
License: CC BY
Full-Text: http://hdl.handle.net/10044/1/99159
Data sources: Bielefeld Academic Search Engine (BASE)
Journal of Materials Chemistry A
Article . 2022 . Peer-reviewed
License: CC BY
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https://dx.doi.org/10.48550/ar...
Article . 2022
License: CC BY
Data sources: Datacite
arXiv.org e-Print Archive
Preprint . 2022
Data sources: arXiv.org e-Print Archive
arXiv.org e-Print Archive
Preprint . 2022
Data sources: arXiv.org e-Print Archive
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Article . 2022
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downloaddonwloadFull-Text
Imperial College Lon...arrow_drop_down
Imperial College London: Spiral
Article . 2022
License: CC BY
Full-Text: http://hdl.handle.net/10044/1/99159
Data sources: Bielefeld Academic Search Engine (BASE)
Journal of Materials Chemistry A
Article . 2022 . Peer-reviewed
License: CC BY
Data sources: Crossref
https://dx.doi.org/10.48550/ar...
Article . 2022
License: CC BY
Data sources: Datacite
arXiv.org e-Print Archive
Preprint . 2022
Data sources: arXiv.org e-Print Archive
arXiv.org e-Print Archive
Preprint . 2022
Data sources: arXiv.org e-Print Archive
Spiral - Imperial College Digital Repository
Article . 2022
License: CC BY
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Room-temperature stacking disorder in layered covalent-organic frameworks from machine-learning force fields
descriptionPublicationkeyboard_double_arrow_right Article 2023Publisher:Royal Society of Chemistry (RSC)Funded by:UKRI | Design rules for defect-t..., UKRI | The Faraday Institution, UKRI | The Materials and Molecul... +1 projects
UKRI| Design rules for defect-tolerant photovoltaics ,
UKRI| The Faraday Institution ,
UKRI| The Materials and Molecular Modelling Hub ,
UKRI| Tier 2 Hub in Materials and Molecular Modelling
Authors: Ju Huang; Seung-Jae Shin; Kasper Tolborg; Alex M. Ganose; +2 Authors
Ju Huang; Seung-Jae Shin; Kasper Tolborg; Alex M. Ganose; Gabriel Krenzer; Aron Walsh;
doi: 10.1039/d3mh00314k , 10.26434/chemrxiv-2023-9dckb
pmid: 37158579
doi: 10.1039/d3mh00314k , 10.26434/chemrxiv-2023-9dckb
pmid: 37158579
Large-scale computer simulations of layered covalent-organic frameworks reveal temporal and spatial fluctuations that can be described as zigzag disorder.
Materials Horizonsarrow_drop_down
Materials Horizons
Article . 2023 . Peer-reviewed
License: CC BY
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Article . 2023 . Peer-reviewed
License: CC BY
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The following results are related to Energy Research. Are you interested to view more results? Visit OpenAIRE - Explore.

2 Research products

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Band gap opening from displacive instabilities in layered covalent-organic frameworks
descriptionPublicationkeyboard_double_arrow_right Article , Preprint 2022Embargo end date: 01 Jan 2022 United Kingdom Publisher:Royal Society of Chemistry (RSC)Funded by:UKRI | EPSRC and SFI Centre for ..., UKRI | Design rules for defect-t..., UKRI | The Materials and Molecul... +1 projects
UKRI| EPSRC and SFI Centre for Doctoral Training in the Advanced Characterisation of Materials (CDT-ACM) ,
UKRI| Design rules for defect-tolerant photovoltaics ,
UKRI| The Materials and Molecular Modelling Hub ,
UKRI| Tier 2 Hub in Materials and Molecular Modelling
Authors: Ju Huang; Matthias J. Golomb; Seán R. Kavanagh; Kasper Tolborg; +2 Authors
Ju Huang; Matthias J. Golomb; Seán R. Kavanagh; Kasper Tolborg; Alex M. Ganose; Aron Walsh;
doi: 10.1039/d2ta02993f , 10.48550/arxiv.2204.13958
arXiv: http://arxiv.org/abs/2204.13958 , 2204.13958
handle: 10044/1/99159
doi: 10.1039/d2ta02993f , 10.48550/arxiv.2204.13958
arXiv: http://arxiv.org/abs/2204.13958 , 2204.13958
handle: 10044/1/99159
Symmetry breaking in covalent organic frameworks (COFs) lowers the energy and increases the valence to conduction band separation of the material.
downloaddonwloadFull-Text
Imperial College Lon...arrow_drop_down
Imperial College London: Spiral
Article . 2022
License: CC BY
Full-Text: http://hdl.handle.net/10044/1/99159
Data sources: Bielefeld Academic Search Engine (BASE)
Journal of Materials Chemistry A
Article . 2022 . Peer-reviewed
License: CC BY
Data sources: Crossref
https://dx.doi.org/10.48550/ar...
Article . 2022
License: CC BY
Data sources: Datacite
arXiv.org e-Print Archive
Preprint . 2022
Data sources: arXiv.org e-Print Archive
arXiv.org e-Print Archive
Preprint . 2022
Data sources: arXiv.org e-Print Archive
Spiral - Imperial College Digital Repository
Article . 2022
License: CC BY
Data sources: Spiral - Imperial College Digital Repository
linkLink to
shareshareShare
citeCite
addClaim
Please grant OpenAIRE to access and update your ORCID works.
This Research product is the result of merged Research products in OpenAIRE.

You have already added works in your ORCID record related to the merged Research product.
This Research product is the result of merged Research products in OpenAIRE.

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Access Routes
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hybrid
8
citations 8
popularity Top 10%
influence Average
impulse Top 10%
Powered by BIP!
more_vert
downloaddonwloadFull-Text
Imperial College Lon...arrow_drop_down
Imperial College London: Spiral
Article . 2022
License: CC BY
Full-Text: http://hdl.handle.net/10044/1/99159
Data sources: Bielefeld Academic Search Engine (BASE)
Journal of Materials Chemistry A
Article . 2022 . Peer-reviewed
License: CC BY
Data sources: Crossref
https://dx.doi.org/10.48550/ar...
Article . 2022
License: CC BY
Data sources: Datacite
arXiv.org e-Print Archive
Preprint . 2022
Data sources: arXiv.org e-Print Archive
arXiv.org e-Print Archive
Preprint . 2022
Data sources: arXiv.org e-Print Archive
Spiral - Imperial College Digital Repository
Article . 2022
License: CC BY
Data sources: Spiral - Imperial College Digital Repository
linkLink to
shareshareShare
citeCite
addClaim
Please grant OpenAIRE to access and update your ORCID works.
This Research product is the result of merged Research products in OpenAIRE.

You have already added works in your ORCID record related to the merged Research product.
This Research product is the result of merged Research products in OpenAIRE.

You have already added works in your ORCID record related to the merged Research product.
Select content type to embed
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Room-temperature stacking disorder in layered covalent-organic frameworks from machine-learning force fields
descriptionPublicationkeyboard_double_arrow_right Article 2023Publisher:Royal Society of Chemistry (RSC)Funded by:UKRI | Design rules for defect-t..., UKRI | The Faraday Institution, UKRI | The Materials and Molecul... +1 projects
UKRI| Design rules for defect-tolerant photovoltaics ,
UKRI| The Faraday Institution ,
UKRI| The Materials and Molecular Modelling Hub ,
UKRI| Tier 2 Hub in Materials and Molecular Modelling
Authors: Ju Huang; Seung-Jae Shin; Kasper Tolborg; Alex M. Ganose; +2 Authors
Ju Huang; Seung-Jae Shin; Kasper Tolborg; Alex M. Ganose; Gabriel Krenzer; Aron Walsh;
doi: 10.1039/d3mh00314k , 10.26434/chemrxiv-2023-9dckb
pmid: 37158579
doi: 10.1039/d3mh00314k , 10.26434/chemrxiv-2023-9dckb
pmid: 37158579
Large-scale computer simulations of layered covalent-organic frameworks reveal temporal and spatial fluctuations that can be described as zigzag disorder.
Materials Horizonsarrow_drop_down
Materials Horizons
Article . 2023 . Peer-reviewed
License: CC BY
Data sources: Crossref
https://doi.org/10.26434/chemr...
Article . 2023 . Peer-reviewed
License: CC BY NC
Data sources: Crossref
Materials Horizons
Article
Data sources: Europe PubMed Central
linkLink to
shareshareShare
citeCite
addClaim
Please grant OpenAIRE to access and update your ORCID works.
This Research product is the result of merged Research products in OpenAIRE.

You have already added works in your ORCID record related to the merged Research product.
This Research product is the result of merged Research products in OpenAIRE.

You have already added works in your ORCID record related to the merged Research product.
Select content type to embed
All Research products
arrow_drop_down
<script type="text/javascript">  </script>
COPY SCRIPT
For further information contact us at helpdesk@openaire.eu
Access Routes
hybrid
5
citations 5
popularity Top 10%
influence Average
impulse Top 10%
Powered by BIP!
more_vert
Materials Horizonsarrow_drop_down
Materials Horizons
Article . 2023 . Peer-reviewed
License: CC BY
Data sources: Crossref
https://doi.org/10.26434/chemr...
Article . 2023 . Peer-reviewed
License: CC BY NC
Data sources: Crossref
Materials Horizons
Article
Data sources: Europe PubMed Central
linkLink to
shareshareShare
citeCite
addClaim
Please grant OpenAIRE to access and update your ORCID works.
This Research product is the result of merged Research products in OpenAIRE.

You have already added works in your ORCID record related to the merged Research product.
This Research product is the result of merged Research products in OpenAIRE.

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Band gap opening from displacive instabilities in layered covalent-organic frameworks

Room-temperature stacking disorder in layered covalent-organic frameworks from machine-learning force fields

Band gap opening from displacive instabilities in layered covalent-organic frameworks

Room-temperature stacking disorder in layered covalent-organic frameworks from machine-learning force fields

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Band gap opening from displacive instabilities in layered covalent-organic frameworks

Room-temperature stacking disorder in layered covalent-organic frameworks from machine-learning force fields

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Band gap opening from displacive instabilities in layered covalent-organic frameworks

Room-temperature stacking disorder in layered covalent-organic frameworks from machine-learning force fields