Water at Interfaces

Björneholm, Olle; Hansen, Martin H.; Hodgson, Andrew; Liu, Li-Min; Limmer, David T.; Michaelides, Angelos; Pedevilla, Philipp; Rossmeisl, Jan; Shen, Huaze; Tocci, Gabriele; Tyrode, Eric; Walz, Marie-Madeleine; Werner, Josephina; Bluhm, Hendrik

doi:10.1021/acs.chemrev.6b00045

Water at Interfaces

Journal Article · Fri May 27 00:00:00 EDT 2016 · Chemical Reviews

DOI:https://doi.org/10.1021/acs.chemrev.6b00045· OSTI ID:1465403

Björneholm, Olle ^[1]; Hansen, Martin H. ^[2]; Hodgson, Andrew ^[3]; Liu, Li-Min ^[4]; Limmer, David T. ^[5]; Michaelides, Angelos ^[6]; Pedevilla, Philipp ^[6]; Rossmeisl, Jan ^[7]; Shen, Huaze ^[8]; Tocci, Gabriele ^[9]; Tyrode, Eric ^[10]; Walz, Marie-Madeleine ^[1]; Werner, Josephina ^[11]; Bluhm, Hendrik ^[12]

Uppsala Univ. (Sweden). Dept. of Physics and Astronomy
Technical Univ. of Denmark, Lyngby (Denmark); Univ. of Copenhagen (Denmark). Dept. of Chemistry
Univ. of Liverpool (United Kingdom). Dept. of Chemistry
Univ. College London, Bloomsbury (United Kingdom). Thomas Young Center, London Center for Nanotechnology, Dept. of Physics and Astronomy and Dept. of Chemistry; Beijing Computational Science Research Center (CSRC), Beijing (China)
Princeton Univ., NJ (United States). Princeton Center for Theoretical Science
Univ. College London, Bloomsbury (United Kingdom). Thomas Young Center, London Center for Nanotechnology, Dept. of Physics and Astronomy and Dept. of Chemistry
Univ. of Copenhagen (Denmark). Dept. of Chemistry
Peking Univ., Beijing (China). International Center for Quantum Materials and School of Physics
Univ. College London, Bloomsbury (United Kingdom). Thomas Young Center, London Center for Nanotechnology, Dept. of Physics and Astronomy and Dept. of Chemistry; Federal Inst. of Technology, Lausanne (Switzerland). Lab. for Fundamental BioPhotonics, Lab. of Computational Science and Modeling, Inst. of Bioengineering and Materials Science and Engineering, School of Engineering and Lausanne Center for Ultrafast Science
KTH Royal Inst. of Technology, Stockholm (Sweden). Dept. of Chemistry
Uppsala Univ. (Sweden). Dept. of Physics and Astronomy; Swedish Univ. of Agricultural Sciences (SLU), Uppsala (Sweden). Dept. of Chemistry and Biotechnology
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Chemical Sciences Division

The interfaces of neat water and aqueous solutions play a prominent role in many technological processes and in the environment. Examples of aqueous interfaces are ultrathin water films that cover most hydrophilic surfaces under ambient relative humidities, the liquid/solid interface which drives many electrochemical reactions, and the liquid/vapor interface, which governs the uptake and release of trace gases by the oceans and cloud droplets. In this work, we review some of the recent experimental and theoretical advances in our knowledge of the properties of aqueous interfaces and discuss open questions and gaps in our understanding.

View Accepted Manuscript (DOE)

Research Organization:: Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22). Chemical Sciences, Geosciences & Biosciences Division; Royal Swedish Academy of Sciences (RSAS); Swedish Research Council (SRC); European Research Council (ERC); European Union (EU); Swedish Foundation for Strategic Research (SSF); Carl Tryggers Foundation

Grant/Contract Number:: AC02-05CH11231

OSTI ID:: 1465403

Journal Information:: Chemical Reviews, Journal Name: Chemical Reviews Journal Issue: 13 Vol. 116; ISSN 0009-2665

Publisher:: American Chemical SocietyCopyright Statement

Country of Publication:: United States

Language:: English

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Plasma physics of liquids—A focused review Vanraes, Patrick; Bogaerts, Annemie Applied Physics Reviews, Vol. 5, Issue 3 https://doi.org/10.1063/1.5020511	journal	September 2018
Vibrational spectroscopy of hydroxylated α-Al ₂ O ₃ (0001) surfaces with and without water: An ab initio molecular dynamics study Melani, Giacomo; Nagata, Yuki; Wirth, Jonas The Journal of Chemical Physics, Vol. 149, Issue 1 https://doi.org/10.1063/1.5023347	journal	July 2018
A multiscale model for charge inversion in electric double layers Mashayak, S. Y.; Aluru, N. R. The Journal of Chemical Physics, Vol. 148, Issue 21 https://doi.org/10.1063/1.5026975	journal	June 2018
Chirality at two-dimensional surfaces: A perspective from small molecule alcohol assembly on Au(111) Liriano, Melissa L.; Larson, Amanda M.; Gattinoni, Chiara The Journal of Chemical Physics, Vol. 149, Issue 3 https://doi.org/10.1063/1.5035500	journal	July 2018
Broadband models and their consequences on line shape analysis in vibrational sum-frequency spectroscopy Yang, Wei-Chen; Hore, Dennis K. The Journal of Chemical Physics, Vol. 149, Issue 17 https://doi.org/10.1063/1.5053128	journal	November 2018
DFT-MD of the (110)-Co 3 O 4 cobalt oxide semiconductor in contact with liquid water, preliminary chemical and physical insights into the electrochemical environment Creazzo, Fabrizio; Galimberti, Daria Ruth; Pezzotti, Simone The Journal of Chemical Physics, Vol. 150, Issue 4 https://doi.org/10.1063/1.5053729	journal	January 2019
Water adsorption on olivine(010) surfaces: Effect of alkali and transition metal cation doping Liu, Tingting; Luo, Wenjia; Cole, David R. The Journal of Chemical Physics, Vol. 150, Issue 4 https://doi.org/10.1063/1.5058770	journal	January 2019
A neutron scattering and electron microscopy study of the structure, wetting, and freezing behavior of water near hydrophilic CuO-nanostructured surfaces Torres, J.; Buck, Z. N.; Kaiser, H. Journal of Applied Physics, Vol. 125, Issue 2 https://doi.org/10.1063/1.5060976	journal	January 2019
Vibrational spectra of dissociatively adsorbed D ₂ O on Al-terminated α-Al ₂ O ₃ (0001) surfaces from ab initio molecular dynamics Melani, Giacomo; Nagata, Yuki; Campen, R. Kramer The Journal of Chemical Physics, Vol. 150, Issue 24 https://doi.org/10.1063/1.5099895	journal	June 2019
Interaction between water and carbon nanostructures: How good are current density functional approximations? Brandenburg, Jan Gerit; Zen, Andrea; Alfè, Dario The Journal of Chemical Physics, Vol. 151, Issue 16 https://doi.org/10.1063/1.5121370	journal	October 2019
Melting the ice one layer at a time Michaelides, Angelos; Slater, Ben Proceedings of the National Academy of Sciences, Vol. 114, Issue 2 https://doi.org/10.1073/pnas.1619259114	journal	January 2017
Distinct ice patterns on solid surfaces with various wettabilities Liu, Jie; Zhu, Chongqin; Liu, Kai Proceedings of the National Academy of Sciences, Vol. 114, Issue 43 https://doi.org/10.1073/pnas.1712829114	journal	October 2017
Water agglomerates on Fe 3 O 4 (001) Meier, Matthias; Hulva, Jan; Jakub, Zdeněk Proceedings of the National Academy of Sciences, Vol. 115, Issue 25 https://doi.org/10.1073/pnas.1801661115	journal	June 2018
Preordering of water is not needed for ice recognition by hyperactive antifreeze proteins Hudait, Arpa; Moberg, Daniel R.; Qiu, Yuqing Proceedings of the National Academy of Sciences, Vol. 115, Issue 33 https://doi.org/10.1073/pnas.1806996115	journal	July 2018
Thermal, caloric and transport properties of the Lennard–Jones truncated and shifted fluid in the adsorbed layers at dispersive solid walls Lautenschlaeger, Martin P.; Hasse, Hans Molecular Physics, Vol. 118, Issue 9-10 https://doi.org/10.1080/00268976.2019.1669838	journal	September 2019
The quantum nature of hydrogen Fang, Wei; Chen, Ji; Feng, Yexin International Reviews in Physical Chemistry, Vol. 38, Issue 1 https://doi.org/10.1080/0144235x.2019.1558623	journal	January 2019
Self-diffusion coefficient of bulk and confined water: a critical review of classical molecular simulation studies Tsimpanogiannis, Ioannis N.; Moultos, Othonas A.; Franco, Luís F. M. Molecular Simulation, Vol. 45, Issue 4-5 https://doi.org/10.1080/08927022.2018.1511903	journal	August 2018
Water at surfaces with tunable surface chemistries Sanders, Stephanie E.; Vanselous, Heather; Petersen, Poul B. Journal of Physics: Condensed Matter, Vol. 30, Issue 11 https://doi.org/10.1088/1361-648x/aaacb5	journal	February 2018
Role of hydration water in the onset of protein structural dynamics Schirò, Giorgio; Weik, Martin Journal of Physics: Condensed Matter, Vol. 31, Issue 46 https://doi.org/10.1088/1361-648x/ab388a	journal	August 2019
Enhancement of water self-diffusion at super-hydrophilic surface with ordered water Yu, Xiao-Meng; Qi, Chong-Hai; Wang, Chun-Lei Chinese Physics B, Vol. 27, Issue 6 https://doi.org/10.1088/1674-1056/27/6/060101	journal	June 2018
Structural and dynamical characterization of water on the Au (100) and graphene surfaces: A molecular dynamics simulation approach Foroutan, Masumeh; Darvishi, Mehdi; Fatemi, S. Mahmood Physical Review E, Vol. 96, Issue 3 https://doi.org/10.1103/physreve.96.033312	journal	September 2017
Excess Hydrogen Bond at the Ice-Vapor Interface around 200 K Smit, Wilbert J.; Tang, Fujie; Sánchez, M. Alejandra Physical Review Letters, Vol. 119, Issue 13 https://doi.org/10.1103/physrevlett.119.133003	journal	September 2017
Ambient conditions disordered-ordered phase transition of two-dimensional interfacial water molecules dependent on charge dipole moment Wang, Chunlei; Qi, Chonghai; Tu, Yusong Physical Review Materials, Vol. 3, Issue 6 https://doi.org/10.1103/physrevmaterials.3.065602	journal	June 2019
Water-mediated photo-induced reduction of platinum films Fraxedas, Jordi; Zhang, Kuan; Sepúlveda, Borja Journal of Synchrotron Radiation, Vol. 26, Issue 4 https://doi.org/10.1107/s1600577519004685	journal	June 2019
Water-mediated photo-induced reduction of platinum films Fraxedas, Jordi; Zhang, Kuan; Sepúlveda, Borja International Union of Crystallography (IUCr) https://doi.org/10.1107/s1600577519004685/il5027sup1.pdf	text	January 2019
Anomalously low dielectric constant of confined water Fumagalli, L.; Esfandiar, A.; Fabregas, R. Science, Vol. 360, Issue 6395 https://doi.org/10.1126/science.aat4191	journal	June 2018
Complete steric exclusion of ions and proton transport through confined monolayer water Gopinadhan, K.; Hu, S.; Esfandiar, A. Science, Vol. 363, Issue 6423 https://doi.org/10.1126/science.aau6771	journal	January 2019
Functional Hydration Behavior: Interrelation between Hydration and Molecular Properties at Lipid Membrane Interfaces Watanabe, Nozomi; Suga, Keishi; Umakoshi, Hiroshi Journal of Chemistry, Vol. 2019 https://doi.org/10.1155/2019/4867327	journal	January 2019
Thin water films covering oxide nanomaterials: Stability issues and influences on materials processing Bourret, Gilles R.; Diwald, Oliver Journal of Materials Research, Vol. 34, Issue 3 https://doi.org/10.1557/jmr.2018.429	journal	February 2019
Interaction of water with oxide thin film model systems Sterrer, Martin; Nilius, Niklas; Shaikhutdinov, Shamil Journal of Materials Research, Vol. 34, Issue 3 https://doi.org/10.1557/jmr.2018.454	journal	January 2019
Lateral water structure connects metal oxide nanoparticle faces Zarzycki, Piotr; Colla, Christopher A.; Gilbert, Benjamin Journal of Materials Research, Vol. 34, Issue 3 https://doi.org/10.1557/jmr.2018.478	journal	January 2019
Sensing phases of water via nitrogen-vacancy centres in diamond Fernández-Acebal, Pelayo; Plenio, Martin B. Universität Ulm https://doi.org/10.18725/oparu-36776	text	January 2018
Factors Controlling the Redox Activity of Oxygen in Perovskites: From Theory to Application for Catalytic Reactions Yang, Chunzhen; Grimaud, Alexis Catalysts, Vol. 7, Issue 5 https://doi.org/10.3390/catal7050149	journal	May 2017
Co-Adsorption of H2O, OH, and Cl on Aluminum and Intermetallic Surfaces and Its Effects on the Work Function Studied by DFT Calculations Liu, Min; Jin, Ying; Pan, Jinshan Molecules, Vol. 24, Issue 23 https://doi.org/10.3390/molecules24234284	journal	November 2019
The Excess Proton at the Air-Water Interface: The Role of Instantaneous Liquid Interfaces Giberti, Federico; Hassanali, Ali A. arXiv https://doi.org/10.48550/arxiv.1703.09395	text	January 2017
Anomalously low dielectric constant of confined water Fumagalli, L.; Esfandiar, A.; Fabregas, R. arXiv https://doi.org/10.48550/arxiv.1806.04486	text	January 2018
Chirality at two-dimensional surfaces: A perspective from small molecule alcohol assembly on Au(111) Liriano, Melissa L.; Larson, Amanda M.; Gattinoni, Chiara arXiv https://doi.org/10.48550/arxiv.1807.06797	text	January 2018
Complete steric exclusion of ions and proton transport through confined monolayer water Gopinadhan, K.; Hu, S.; Esfandiar, A. arXiv https://doi.org/10.48550/arxiv.1811.09227	text	January 2018
The quantum nature of hydrogen Fang, Wei; Chen, Ji; Feng, Yexin arXiv https://doi.org/10.48550/arxiv.1812.07848	preprint	January 2018
Interaction between water and carbon nanostructures: How good are current density functional approximations? Brandenburg, Jan Gerit; Zen, Andrea; Alfè, Dario arXiv https://doi.org/10.48550/arxiv.1907.09525	preprint	January 2019
Self-diffusion coefficient of bulk and confined water: a critical review of classical molecular simulation studies Tsimpanogiannis, Ioannis N.; Moultos, Othonas A.; Franco, Luís F. M. Taylor & Francis https://doi.org/10.6084/m9.figshare.7054598.v1	text	January 2018
Thermal, caloric and transport properties of the Lennard–Jones truncated and shifted fluid in the adsorbed layers at dispersive solid walls Lautenschlaeger, Martin P.; Hasse, Hans Taylor & Francis https://doi.org/10.6084/m9.figshare.9895694	text	January 2019
Thermal, caloric and transport properties of the Lennard–Jones truncated and shifted fluid in the adsorbed layers at dispersive solid walls Lautenschlaeger, Martin P.; Hasse, Hans Taylor & Francis https://doi.org/10.6084/m9.figshare.9895694.v1	text	January 2019

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