Water agglomerates on Fe3O4(001)

Matthias Meier; Jan Hulva; Zdenek Jakub; Jiri Pavelec; Martin Setvin; Roland Bliem; Michael Schmid; Ulrike Diebold; Cesare Franchini; Gareth S. Parkinson

doi:10.1073/pnas.1801661115

Water agglomerates on Fe3O4(001)

Matthias Meier
, Jan Hulva
, Zdenek Jakub
, Jiri Pavelec
, Martin Setvin
, Roland Bliem
, Michael Schmid
, Ulrike Diebold
, Cesare Franchini
, Gareth S. Parkinson (Corresponding author)

Computational Materials Physics

Publications: Contribution to journal › Article › Peer Reviewed

Original language	English
Pages (from-to)	E5642-E5650
Number of pages	9
Journal	Proceedings of the National Academy of Sciences of the United States of America (PNAS)
Volume	115
Issue number	25
DOIs	https://doi.org/10.1073/pnas.1801661115
Publication status	Published - 19 Jun 2018

Funding

The computational results presented have been achieved by using the Vienna Scientific Cluster. We gratefully acknowledge funding through projects from the Austrian Science Fund [START- Prize Y 847-N20 (to M.M., J.H., R.B., and G.S.P.); Special Research Project "Functional Surfaces and Interfaces," FOXSI F4505-N16 and F4507-N16 (to M. Schmid and U.D.)], the European Research Council [ERC-2011-ADG_20110209 Advanced Grant "OxideSurfaces" (to U.D.)], and the Doctoral College TU-D (Z.J.) and Solids4fun [W1243 (to R.B.)].

Austrian Fields of Science 2012

103006 Chemical physics

Keywords

water
magnetite
Fe3O4
cooperativity
H-bond network
ATOMIC-FORCE MICROSCOPY
DENSITY-FUNCTIONAL THEORY
AUGMENTED-WAVE METHOD
GAS SHIFT REACTION
AB-INITIO
SUBMOLECULAR RESOLUTION
ADSORBED MOLECULES
SURFACE-STRUCTURES
INTERFACIAL WATER
PHASE-TRANSITIONS
Water
Magnetite
Cooperativity

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10.1073/pnas.1801661115

Cite this

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title = "Water agglomerates on Fe3O4(001)",

keywords = "water, magnetite, Fe3O4, cooperativity, H-bond network, ATOMIC-FORCE MICROSCOPY, DENSITY-FUNCTIONAL THEORY, AUGMENTED-WAVE METHOD, GAS SHIFT REACTION, AB-INITIO, SUBMOLECULAR RESOLUTION, ADSORBED MOLECULES, SURFACE-STRUCTURES, INTERFACIAL WATER, PHASE-TRANSITIONS, Water, Magnetite, Cooperativity",

author = "Matthias Meier and Jan Hulva and Zdenek Jakub and Jiri Pavelec and Martin Setvin and Roland Bliem and Michael Schmid and Ulrike Diebold and Cesare Franchini and Parkinson, \{Gareth S.\}",

year = "2018",

month = jun,

day = "19",

doi = "10.1073/pnas.1801661115",

language = "English",

volume = "115",

pages = "E5642--E5650",

journal = "Proceedings of the National Academy of Sciences of the United States of America (PNAS)",

issn = "0027-8424",

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}

TY - JOUR

T1 - Water agglomerates on Fe3O4(001)

AU - Meier, Matthias

AU - Hulva, Jan

AU - Jakub, Zdenek

AU - Pavelec, Jiri

AU - Setvin, Martin

AU - Bliem, Roland

AU - Schmid, Michael

AU - Diebold, Ulrike

AU - Franchini, Cesare

AU - Parkinson, Gareth S.

PY - 2018/6/19

Y1 - 2018/6/19

KW - water

KW - magnetite

KW - Fe3O4

KW - cooperativity

KW - H-bond network

KW - ATOMIC-FORCE MICROSCOPY

KW - DENSITY-FUNCTIONAL THEORY

KW - AUGMENTED-WAVE METHOD

KW - GAS SHIFT REACTION

KW - AB-INITIO

KW - SUBMOLECULAR RESOLUTION

KW - ADSORBED MOLECULES

KW - SURFACE-STRUCTURES

KW - INTERFACIAL WATER

KW - PHASE-TRANSITIONS

KW - Water

KW - Magnetite

KW - Cooperativity

UR - https://arxiv.org/abs/1801.09601

UR - https://www.scopus.com/pages/publications/85048795028

U2 - 10.1073/pnas.1801661115

DO - 10.1073/pnas.1801661115

M3 - Article

SN - 0027-8424

VL - 115

SP - E5642-E5650

JO - Proceedings of the National Academy of Sciences of the United States of America (PNAS)

JF - Proceedings of the National Academy of Sciences of the United States of America (PNAS)

IS - 25

ER -

Water agglomerates on Fe3O4(001)

Funding

Austrian Fields of Science 2012

Keywords

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