Ab Initio Molecular Dynamics Simulations of the Influence of Lithium Bromide on the Structure of the Aqueous Solution-Air Interface

Research output: Contribution to journalArticleScientificpeer-review

Original languageEnglish
JournalJournal of Physical Chemistry B
Volume123
Issue number3
Pages (from-to)729-737
Number of pages9
ISSN1520-6106
DOIs
Publication statusPublished - 24 Jan 2019
MoE publication typeA1 Journal article-refereed

Fields of Science

  • LIQUID-VAPOR INTERFACE
  • HYDROGEN-BOND DYNAMICS
  • HYDRATION STRUCTURE
  • NEUTRON-SCATTERING
  • ION SOLVATION
  • WATER
  • DENSITY
  • SURFACE
  • LI+
  • MONOVALENT
  • 116 Chemical sciences
  • 114 Physical sciences

Cite this

@article{4d5ba35204f247fd91d4b009733aa6a2,
title = "Ab Initio Molecular Dynamics Simulations of the Influence of Lithium Bromide on the Structure of the Aqueous Solution-Air Interface",
keywords = "LIQUID-VAPOR INTERFACE, HYDROGEN-BOND DYNAMICS, HYDRATION STRUCTURE, NEUTRON-SCATTERING, ION SOLVATION, WATER, DENSITY, SURFACE, LI+, MONOVALENT, 116 Chemical sciences, 114 Physical sciences",
author = "Daub, {Christopher D.} and Vesa H{\"a}nninen and Lauri Halonen",
year = "2019",
month = "1",
day = "24",
doi = "10.1021/acs.jpcb.8b10552",
language = "English",
volume = "123",
pages = "729--737",
journal = "Journal of Physical Chemistry B",
issn = "1520-6106",
publisher = "American Chemical Society",
number = "3",

}

TY - JOUR

T1 - Ab Initio Molecular Dynamics Simulations of the Influence of Lithium Bromide on the Structure of the Aqueous Solution-Air Interface

AU - Daub, Christopher D.

AU - Hänninen, Vesa

AU - Halonen, Lauri

PY - 2019/1/24

Y1 - 2019/1/24

KW - LIQUID-VAPOR INTERFACE

KW - HYDROGEN-BOND DYNAMICS

KW - HYDRATION STRUCTURE

KW - NEUTRON-SCATTERING

KW - ION SOLVATION

KW - WATER

KW - DENSITY

KW - SURFACE

KW - LI+

KW - MONOVALENT

KW - 116 Chemical sciences

KW - 114 Physical sciences

U2 - 10.1021/acs.jpcb.8b10552

DO - 10.1021/acs.jpcb.8b10552

M3 - Article

VL - 123

SP - 729

EP - 737

JO - Journal of Physical Chemistry B

JF - Journal of Physical Chemistry B

SN - 1520-6106

IS - 3

ER -