Digital navigation of energy–structure–function maps for hydrogen-bonded porous molecular crystals

Energy–structure–function (ESF) maps can facilitate functional materials discovery. Here the authors provide a protocol for the digital navigation of ESF maps, as demonstrated for hydrogen-bonded organic frameworks constructed from triptycene- and spiro-biphenyl-based molecular building block.

Bibliographic Details
Main Authors:	Chengxi Zhao, Linjiang Chen, Yu Che, Zhongfu Pang, Xiaofeng Wu, Yunxiang Lu, Honglai Liu, Graeme M. Day, Andrew I. Cooper
Format:	Article
Language:	English
Published:	Nature Publishing Group 2021-02-01
Series:	Nature Communications
Online Access:	https://doi.org/10.1038/s41467-021-21091-w

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spelling	doaj-71f8b2e397da4bf38a2657164a8ccaf32021-02-07T12:12:50ZengNature Publishing GroupNature Communications2041-17232021-02-0112111110.1038/s41467-021-21091-wDigital navigation of energy–structure–function maps for hydrogen-bonded porous molecular crystalsChengxi Zhao0Linjiang Chen1Yu Che2Zhongfu Pang3Xiaofeng Wu4Yunxiang Lu5Honglai Liu6Graeme M. Day7Andrew I. Cooper8Key Laboratory for Advanced Materials and School of Chemistry and Molecular Engineering, East China University of Science and TechnologyLeverhulme Research Centre for Functional Materials Design, Materials Innovation Factory and Department of Chemistry, University of LiverpoolLeverhulme Research Centre for Functional Materials Design, Materials Innovation Factory and Department of Chemistry, University of LiverpoolLeverhulme Research Centre for Functional Materials Design, Materials Innovation Factory and Department of Chemistry, University of LiverpoolLeverhulme Research Centre for Functional Materials Design, Materials Innovation Factory and Department of Chemistry, University of LiverpoolKey Laboratory for Advanced Materials and School of Chemistry and Molecular Engineering, East China University of Science and TechnologyKey Laboratory for Advanced Materials and School of Chemistry and Molecular Engineering, East China University of Science and TechnologyComputational Systems Chemistry, School of Chemistry, University of SouthamptonLeverhulme Research Centre for Functional Materials Design, Materials Innovation Factory and Department of Chemistry, University of LiverpoolEnergy–structure–function (ESF) maps can facilitate functional materials discovery. Here the authors provide a protocol for the digital navigation of ESF maps, as demonstrated for hydrogen-bonded organic frameworks constructed from triptycene- and spiro-biphenyl-based molecular building block.https://doi.org/10.1038/s41467-021-21091-w
collection	DOAJ
language	English
format	Article
sources	DOAJ
author	Chengxi Zhao Linjiang Chen Yu Che Zhongfu Pang Xiaofeng Wu Yunxiang Lu Honglai Liu Graeme M. Day Andrew I. Cooper
spellingShingle	Chengxi Zhao Linjiang Chen Yu Che Zhongfu Pang Xiaofeng Wu Yunxiang Lu Honglai Liu Graeme M. Day Andrew I. Cooper Digital navigation of energy–structure–function maps for hydrogen-bonded porous molecular crystals Nature Communications
author_facet	Chengxi Zhao Linjiang Chen Yu Che Zhongfu Pang Xiaofeng Wu Yunxiang Lu Honglai Liu Graeme M. Day Andrew I. Cooper
author_sort	Chengxi Zhao
title	Digital navigation of energy–structure–function maps for hydrogen-bonded porous molecular crystals
title_short	Digital navigation of energy–structure–function maps for hydrogen-bonded porous molecular crystals
title_full	Digital navigation of energy–structure–function maps for hydrogen-bonded porous molecular crystals
title_fullStr	Digital navigation of energy–structure–function maps for hydrogen-bonded porous molecular crystals
title_full_unstemmed	Digital navigation of energy–structure–function maps for hydrogen-bonded porous molecular crystals
title_sort	digital navigation of energy–structure–function maps for hydrogen-bonded porous molecular crystals
publisher	Nature Publishing Group
series	Nature Communications
issn	2041-1723
publishDate	2021-02-01
description	Energy–structure–function (ESF) maps can facilitate functional materials discovery. Here the authors provide a protocol for the digital navigation of ESF maps, as demonstrated for hydrogen-bonded organic frameworks constructed from triptycene- and spiro-biphenyl-based molecular building block.
url	https://doi.org/10.1038/s41467-021-21091-w
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Digital navigation of energy–structure–function maps for hydrogen-bonded porous molecular crystals

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