Insight into induced charges at metal surfaces and biointerfaces using a polarizable Lennard–Jones potential

Insight into induced charges at metal surfaces and biointerfaces using a polarizable Lennard–Jones potential

Molecular dynamics models for predicting the behavior of metallic nanostructures typically do not take into account polarization effects in metals. Here, the authors introduce a polarizable Lennard–Jones potential that provides quantitative insight into the role of induced charges at metal surfaces...

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Main Authors: Isidro Lorenzo Geada, Hadi Ramezani-Dakhel, Tariq Jamil, Marialore Sulpizi, Hendrik Heinz
Format: Article
Language:English
Published: Nature Publishing Group 2018-02-01
Series:Nature Communications
Online Access:https://doi.org/10.1038/s41467-018-03137-8
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spelling doaj-69cc028ea161442ea8e1e9fae2ae71222021-05-11T10:33:57ZengNature Publishing GroupNature Communications2041-17232018-02-019111410.1038/s41467-018-03137-8Insight into induced charges at metal surfaces and biointerfaces using a polarizable Lennard–Jones potentialIsidro Lorenzo Geada0Hadi Ramezani-Dakhel1Tariq Jamil2Marialore Sulpizi3Hendrik Heinz4Department of Physics, University of MainzDepartment of Polymer Engineering, University of AkronDepartment of Chemical and Biological Engineering, University of Colorado-BoulderDepartment of Physics, University of MainzDepartment of Polymer Engineering, University of AkronMolecular dynamics models for predicting the behavior of metallic nanostructures typically do not take into account polarization effects in metals. Here, the authors introduce a polarizable Lennard–Jones potential that provides quantitative insight into the role of induced charges at metal surfaces and related complex material interfaces.https://doi.org/10.1038/s41467-018-03137-8
collection DOAJ
language English
format Article
sources DOAJ
author Isidro Lorenzo Geada
Hadi Ramezani-Dakhel
Tariq Jamil
Marialore Sulpizi
Hendrik Heinz
spellingShingle Isidro Lorenzo Geada
Hadi Ramezani-Dakhel
Tariq Jamil
Marialore Sulpizi
Hendrik Heinz
Insight into induced charges at metal surfaces and biointerfaces using a polarizable Lennard–Jones potential
Nature Communications
author_facet Isidro Lorenzo Geada
Hadi Ramezani-Dakhel
Tariq Jamil
Marialore Sulpizi
Hendrik Heinz
author_sort Isidro Lorenzo Geada
title Insight into induced charges at metal surfaces and biointerfaces using a polarizable Lennard–Jones potential
title_short Insight into induced charges at metal surfaces and biointerfaces using a polarizable Lennard–Jones potential
title_full Insight into induced charges at metal surfaces and biointerfaces using a polarizable Lennard–Jones potential
title_fullStr Insight into induced charges at metal surfaces and biointerfaces using a polarizable Lennard–Jones potential
title_full_unstemmed Insight into induced charges at metal surfaces and biointerfaces using a polarizable Lennard–Jones potential
title_sort insight into induced charges at metal surfaces and biointerfaces using a polarizable lennard–jones potential
publisher Nature Publishing Group
series Nature Communications
issn 2041-1723
publishDate 2018-02-01
description Molecular dynamics models for predicting the behavior of metallic nanostructures typically do not take into account polarization effects in metals. Here, the authors introduce a polarizable Lennard–Jones potential that provides quantitative insight into the role of induced charges at metal surfaces and related complex material interfaces.
url https://doi.org/10.1038/s41467-018-03137-8
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AT hadiramezanidakhel insightintoinducedchargesatmetalsurfacesandbiointerfacesusingapolarizablelennardjonespotential
AT tariqjamil insightintoinducedchargesatmetalsurfacesandbiointerfacesusingapolarizablelennardjonespotential
AT marialoresulpizi insightintoinducedchargesatmetalsurfacesandbiointerfacesusingapolarizablelennardjonespotential
AT hendrikheinz insightintoinducedchargesatmetalsurfacesandbiointerfacesusingapolarizablelennardjonespotential
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