Combining high-resolution scanning tunnelling microscopy and first-principles simulations to identify halogen bonding

Scanning tunnelling microscopy (STM) is commonly used to study 2D molecular self-assembly but is not always enough to fully solve a supramolecular structure. Here, the authors combine a high-resolution version of STM with first-principles simulations to precisely identify halogen bonding in polycycl...

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Autores principales:	James Lawrence, Gabriele C. Sosso, Luka Đorđević, Harry Pinfold, Davide Bonifazi, Giovanni Costantini
Formato:	article
Lenguaje:	EN
Publicado:	Nature Portfolio 2020
Materias:	Science Q
Acceso en línea:	https://doaj.org/article/183bff47cec947d4bb1edeb7253b7687
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spelling	oai:doaj.org-article:183bff47cec947d4bb1edeb7253b76872021-12-02T15:33:31ZCombining high-resolution scanning tunnelling microscopy and first-principles simulations to identify halogen bonding10.1038/s41467-020-15898-22041-1723https://doaj.org/article/183bff47cec947d4bb1edeb7253b76872020-04-01T00:00:00Zhttps://doi.org/10.1038/s41467-020-15898-2https://doaj.org/toc/2041-1723Scanning tunnelling microscopy (STM) is commonly used to study 2D molecular self-assembly but is not always enough to fully solve a supramolecular structure. Here, the authors combine a high-resolution version of STM with first-principles simulations to precisely identify halogen bonding in polycyclic aromatic molecules.James LawrenceGabriele C. SossoLuka ĐorđevićHarry PinfoldDavide BonifaziGiovanni CostantiniNature PortfolioarticleScienceQENNature Communications, Vol 11, Iss 1, Pp 1-7 (2020)
institution	DOAJ
collection	DOAJ
language	EN
topic	Science Q
spellingShingle	Science Q James Lawrence Gabriele C. Sosso Luka Đorđević Harry Pinfold Davide Bonifazi Giovanni Costantini Combining high-resolution scanning tunnelling microscopy and first-principles simulations to identify halogen bonding
description	Scanning tunnelling microscopy (STM) is commonly used to study 2D molecular self-assembly but is not always enough to fully solve a supramolecular structure. Here, the authors combine a high-resolution version of STM with first-principles simulations to precisely identify halogen bonding in polycyclic aromatic molecules.
format	article
author	James Lawrence Gabriele C. Sosso Luka Đorđević Harry Pinfold Davide Bonifazi Giovanni Costantini
author_facet	James Lawrence Gabriele C. Sosso Luka Đorđević Harry Pinfold Davide Bonifazi Giovanni Costantini
author_sort	James Lawrence
title	Combining high-resolution scanning tunnelling microscopy and first-principles simulations to identify halogen bonding
title_short	Combining high-resolution scanning tunnelling microscopy and first-principles simulations to identify halogen bonding
title_full	Combining high-resolution scanning tunnelling microscopy and first-principles simulations to identify halogen bonding
title_fullStr	Combining high-resolution scanning tunnelling microscopy and first-principles simulations to identify halogen bonding
title_full_unstemmed	Combining high-resolution scanning tunnelling microscopy and first-principles simulations to identify halogen bonding
title_sort	combining high-resolution scanning tunnelling microscopy and first-principles simulations to identify halogen bonding
publisher	Nature Portfolio
publishDate	2020
url	https://doaj.org/article/183bff47cec947d4bb1edeb7253b7687
work_keys_str_mv	AT jameslawrence combininghighresolutionscanningtunnellingmicroscopyandfirstprinciplessimulationstoidentifyhalogenbonding AT gabrielecsosso combininghighresolutionscanningtunnellingmicroscopyandfirstprinciplessimulationstoidentifyhalogenbonding AT lukađorđevic combininghighresolutionscanningtunnellingmicroscopyandfirstprinciplessimulationstoidentifyhalogenbonding AT harrypinfold combininghighresolutionscanningtunnellingmicroscopyandfirstprinciplessimulationstoidentifyhalogenbonding AT davidebonifazi combininghighresolutionscanningtunnellingmicroscopyandfirstprinciplessimulationstoidentifyhalogenbonding AT giovannicostantini combininghighresolutionscanningtunnellingmicroscopyandfirstprinciplessimulationstoidentifyhalogenbonding
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Combining high-resolution scanning tunnelling microscopy and first-principles simulations to identify halogen bonding

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