Nanoscale water: A Quantum Understanding of Angstrom-scale transport

Project Information

n-AQUA

Grant agreement ID: 101071937

DOI

10.3030/101071937

EC signature date 10 March 2023

Start date 1 April 2023

End date 31 March 2029

Funded under

• European Research Council (ERC)

Total cost

€ 9 982 879,00

EU contribution

€ 9 982 879,00

Coordinated by

MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN EV
Germany

CORDIS provides links to public deliverables and publications of HORIZON projects.

Links to deliverables and publications from FP7 projects, as well as links to some specific result types such as dataset and software, are dynamically retrieved from OpenAIRE .

Deliverables

Data Management Plan (1)

Data Management Plan

Publications

Peer reviewed articles (20)

How Accurate Are Simulations and Experiments for the Lattice Energies of Molecular Crystals?

Author(s): Flaviano Della Pia, Andrea Zen, Dario Alfè, Angelos Michaelides
Published in: Physical Review Letters, Issue 133, 2024, ISSN 0031-9007
Publisher: American Physical Society (APS)
DOI: 10.1103/PhysRevLett.133.046401

Bulklike Vibrational Coupling of Surface Water Revealed by Sum-Frequency Generation Spectroscopy

Author(s): Kuo-Yang Chiang, Xiaoqing Yu, Chun-Chieh Yu, Takakazu Seki, Shumei Sun, Mischa Bonn, Yuki Nagata
Published in: Physical Review Letters, Issue 131, 2023, ISSN 0031-9007
Publisher: American Physical Society (APS)
DOI: 10.1103/PhysRevLett.131.256202

Journal of the American Chemical Society

Author(s): Benjamin X. Shi; Andrea Zen; Venkat Kapil; Péter R. Nagy; Andreas Grüneis; Angelos Michaelides
Published in: Journal of the American Chemical Society, 2023, ISSN 0002-7863
Publisher: American Chemical Society
DOI: 10.1021/jacs.3c09616

Heterodyne‐Detected Sum‐Frequency Generation Vibrational Spectroscopy Reveals Aqueous Molecular Structure at the Suspended Graphene/Water Interface

Author(s): Yongkang Wang, Fujie Tang, Xiaoqing Yu, Tatsuhiko Ohto, Yuki Nagata, Mischa Bonn
Published in: Angewandte Chemie International Edition, Issue 63, 2024, ISSN 1433-7851
Publisher: Wiley
DOI: 10.1002/anie.202319503

Long range signature of liquid's inertia in nanoscale drainage flows

Author(s): Nathan Bigan, Mathieu Lizée, Marc Pascual, Antoine Niguès, Lydéric Bocquet, Alessandro Siria
Published in: Soft Matter, Issue 20, 2024, ISSN 1744-683X
Publisher: Royal Society of Chemistry (RSC)
DOI: 10.1039/D4SM01006J

Collective modes and quantum effects in two-dimensional nanofluidic channels

Author(s): Baptiste Coquinot, Maximilian Becker, Roland R. Netz, Lydéric Bocquet, Nikita Kavokine
Published in: Faraday Discussions, Issue 249, 2023, ISSN 1359-6640
Publisher: Royal Society of Chemistry (RSC)
DOI: 10.1039/D3FD00115F

Journal of Chemical Physics

Author(s): Samuel G. H. Brookes; Venkat Kapil; Christoph Schran; Angelos Michaelides
Published in: J Chem Phys, 2024, ISSN 0021-9606
Publisher: American Institute of Physics
DOI: 10.48550/arxiv.2406.15230

Mechanically Stable PMMA‐Based Large‐Area Nano‐Channels with Sub‐10 nm Depth

Author(s): Min Liu, Tobias Reimer, Yongkang Wang, Mathias Kläui, Yaowen Xing, Xiahui Gui, Yijun Cao, Rüdiger Berger, Hai Wang, Mischa Bonn
Published in: Advanced Materials Technologies, 2024, ISSN 2365-709X
Publisher: Wiley
DOI: 10.1002/admt.202401172

Origin of dielectric polarization suppression in confined water from first principles

Author(s): T. Dufils; C. Schran; J. Chen; A. K. Geim; L. Fumagalli; A. Michaelides
Published in: Chemical Science, 2024, ISSN 2041-6539
Publisher: Cambridge: Royal Society of Chemistry
DOI: 10.1039/d3sc04740g

Heterodyne‐Detektierte Summenfrequenzerzeugungs‐Vibrationsspektroskopie Enthüllt die Molekulare Struktur des Wassers an der Suspendierten Graphen/Wasser‐Grenzfläche

Author(s): Yongkang Wang; Fujie Tang; Xiaoqing Yu; Tatsuhiko Ohto; Yuki Nagata; Mischa Bonn
Published in: Angewandte Chemie, 2024, ISSN 0044-8249
Publisher: Wiley
DOI: 10.1002/ange.202319503

Faraday Discussions

Author(s): Venkat Kapil; Dávid Péter Kovács; Gábor Csányi; Angelos Michaelides
Published in: Faraday Discussions, 2024, ISSN 1359-6640
Publisher: Royal Society of Chemistry
DOI: 10.1039/d3fd00113j

Depth-profiling alkyl chain order in unsaturated lipid monolayers on water

Author(s): Chun-Chieh Yu, Takakazu Seki, Kuo-Yang Chiang, Yongkang Wang, Mischa Bonn, Yuki Nagata
Published in: The Journal of Chemical Physics, Issue 160, 2024, ISSN 0021-9606
Publisher: AIP Publishing
DOI: 10.1063/5.0190519

Enhanced interfacial water dissociation on a hydrated iron porphyrin single-atom catalyst in graphene

Author(s): Laura Scalfi; Maximilian R. Becker; Roland R. Netz; Marie-Laure Bocquet
Published in: Communications Chemistry, 2023, ISSN 2399-3669
Publisher: Nature Research
DOI: 10.1038/s42004-023-01027-9

Nano Letters

Author(s): Kara D. Fong; Barbara Sumić; Niamh O’Neill; Christoph Schran; Clare P. Grey; Angelos Michaelides
Published in: Nano Letters, 2024, ISSN 1530-6984
Publisher: American Chemical Society
DOI: 10.26434/chemrxiv-2024-r67mx

Surface stratification determines the interfacial water structure of simple electrolyte solutions

Author(s): Yair Litman, Kuo-Yang Chiang, Takakazu Seki, Yuki Nagata, Mischa Bonn
Published in: Nature Chemistry, Issue 16, 2024, ISSN 1755-4330
Publisher: Springer Science and Business Media LLC
DOI: 10.1038/s41557-023-01416-6

Proceedings of the National Academy of Sciences of the United States of America

Author(s): Yongkang Wang; Takakazu Seki; Paschalis Gkoupidenis; Yunfei Chen; Yuki Nagata; Mischa Bonn
Published in: Proceedings of the National Academy of Sciences of the United States of America, 2024, ISSN 0027-8424
Publisher: National Academy of Sciences
DOI: 10.1073/pnas.2314347121

Data-efficient fine-tuning of foundational models for first-principles quality sublimation enthalpies

Author(s): Harveen Kaur, Flaviano Della Pia, Ilyes Batatia, Xavier R. Advincula, Benjamin X. Shi, Jinggang Lan, Gábor Csányi, Angelos Michaelides, Venkat Kapil
Published in: Faraday Discussions, 2024, ISSN 1359-6640
Publisher: Royal Society of Chemistry (RSC)
DOI: 10.1039/D4FD00107A

Proceedings of the National Academy of Sciences of the United States of America

Author(s): Baptiste Coquinot; Lydéric Bocquet; Nikita Kavokine
Published in: Proc Natl Acad Sci U S A, 2024, ISSN 0027-8424
Publisher: National Academy of Sciences
DOI: 10.48550/arxiv.2403.20209

Concluding remarks for <i>Faraday Discussion</i> on Water at Interfaces

Author(s): Mischa Bonn
Published in: Faraday Discussions, Issue 249, 2024, ISSN 1359-6640
Publisher: Royal Society of Chemistry (RSC)
DOI: 10.1039/D3FD00153A

Flipping Water Orientation at the Surface of Water-in-Salt and Salt-in-Water Solutions

Author(s): Chun-Chieh Yu, Kuo-Yang Chiang, Ali Dhinojwala, Mischa Bonn, Johannes Hunger, Yuki Nagata
Published in: The Journal of Physical Chemistry Letters, Issue 15, 2024, ISSN 1948-7185
Publisher: American Chemical Society (ACS)
DOI: 10.1021/acs.jpclett.4c01834

Other (3)

Spontaneous Appearance of Triiodide Covering the Topmost Layer of the Iodide Solution Interface Without Photo-Oxidation

Author(s): Takakazu Seki; Chun-Chieh Yu; Kuo-Yang Chiang; Xiaoqing Yu; Shumei Sun; Mischa Bonn; Yuki Nagata
Published in: Environ Sci Technol, 2024
Publisher: American Chemical Society.
DOI: 10.1021/acs.est.3c08243

Quasi-one-dimensional hydrogen bonding in nanoconfined ice

Author(s): Ravindra, Pavan; Advincula, Xavier R; Schran, Christoph; Michaelides, Angelos; Kapil, Venkat
Published in: Nature Communications, 2024
Publisher: NATURE PORTFOLIO
DOI: 10.17863/cam.111396

To Pair or not to Pair? Machine-Learned Explicitly-Correlated Electronic Structure for NaCl in Water

Author(s): Niamh O’Neill; Benjamin X. Shi; Kara Fong; Angelos Michaelides; Christoph Schran
Published in: The Journal of Physical Chemistry Letters, 2024
Publisher: ACS Publications
DOI: 10.48550/arxiv.2311.01527