Atomistic understanding of cation exchange in PbS nanocrystals using simulations with pseudoligands

Cation exchange is a promising technique to modify ionic nanostructures by replacing the existing cations with those provided by the solution. Here, the authors use molecular dynamics to study cation exchange in PbS nanocrystals by combining solvent and ligand effects into a pseudoligand parameter.

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Autores principales:	Zhaochuan Fan, Li-Chiang Lin, Wim Buijs, Thijs J. H. Vlugt, Marijn A. van Huis
Formato:	article
Lenguaje:	EN
Publicado:	Nature Portfolio 2016
Materias:	Science Q
Acceso en línea:	https://doaj.org/article/e909a622d4364bb785c6bb9e764d363b
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spelling	oai:doaj.org-article:e909a622d4364bb785c6bb9e764d363b2021-12-02T14:39:30ZAtomistic understanding of cation exchange in PbS nanocrystals using simulations with pseudoligands10.1038/ncomms115032041-1723https://doaj.org/article/e909a622d4364bb785c6bb9e764d363b2016-05-01T00:00:00Zhttps://doi.org/10.1038/ncomms11503https://doaj.org/toc/2041-1723Cation exchange is a promising technique to modify ionic nanostructures by replacing the existing cations with those provided by the solution. Here, the authors use molecular dynamics to study cation exchange in PbS nanocrystals by combining solvent and ligand effects into a pseudoligand parameter.Zhaochuan FanLi-Chiang LinWim BuijsThijs J. H. VlugtMarijn A. van HuisNature PortfolioarticleScienceQENNature Communications, Vol 7, Iss 1, Pp 1-8 (2016)
institution	DOAJ
collection	DOAJ
language	EN
topic	Science Q
spellingShingle	Science Q Zhaochuan Fan Li-Chiang Lin Wim Buijs Thijs J. H. Vlugt Marijn A. van Huis Atomistic understanding of cation exchange in PbS nanocrystals using simulations with pseudoligands
description	Cation exchange is a promising technique to modify ionic nanostructures by replacing the existing cations with those provided by the solution. Here, the authors use molecular dynamics to study cation exchange in PbS nanocrystals by combining solvent and ligand effects into a pseudoligand parameter.
format	article
author	Zhaochuan Fan Li-Chiang Lin Wim Buijs Thijs J. H. Vlugt Marijn A. van Huis
author_facet	Zhaochuan Fan Li-Chiang Lin Wim Buijs Thijs J. H. Vlugt Marijn A. van Huis
author_sort	Zhaochuan Fan
title	Atomistic understanding of cation exchange in PbS nanocrystals using simulations with pseudoligands
title_short	Atomistic understanding of cation exchange in PbS nanocrystals using simulations with pseudoligands
title_full	Atomistic understanding of cation exchange in PbS nanocrystals using simulations with pseudoligands
title_fullStr	Atomistic understanding of cation exchange in PbS nanocrystals using simulations with pseudoligands
title_full_unstemmed	Atomistic understanding of cation exchange in PbS nanocrystals using simulations with pseudoligands
title_sort	atomistic understanding of cation exchange in pbs nanocrystals using simulations with pseudoligands
publisher	Nature Portfolio
publishDate	2016
url	https://doaj.org/article/e909a622d4364bb785c6bb9e764d363b
work_keys_str_mv	AT zhaochuanfan atomisticunderstandingofcationexchangeinpbsnanocrystalsusingsimulationswithpseudoligands AT lichianglin atomisticunderstandingofcationexchangeinpbsnanocrystalsusingsimulationswithpseudoligands AT wimbuijs atomisticunderstandingofcationexchangeinpbsnanocrystalsusingsimulationswithpseudoligands AT thijsjhvlugt atomisticunderstandingofcationexchangeinpbsnanocrystalsusingsimulationswithpseudoligands AT marijnavanhuis atomisticunderstandingofcationexchangeinpbsnanocrystalsusingsimulationswithpseudoligands
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Atomistic understanding of cation exchange in PbS nanocrystals using simulations with pseudoligands

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