Nanoscale water: A Quantum Understanding of Angstrom-scale transport

Información del proyecto

n-AQUA

Identificador del acuerdo de subvención: 101071937

DOI

10.3030/101071937

Fecha de la firma de la CE 10 Marzo 2023

Fecha de inicio 1 Abril 2023

Fecha de finalización 31 Marzo 2029

Financiado con arreglo a

• European Research Council (ERC)

Coste total

€ 9 982 879,00

Aportación de la UE

€ 9 982 879,00

Coordinado por

MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN EV
Germany

CORDIS proporciona enlaces a los documentos públicos y las publicaciones de los proyectos de los programas marco HORIZONTE.

Los enlaces a los documentos y las publicaciones de los proyectos del Séptimo Programa Marco, así como los enlaces a algunos tipos de resultados específicos, como conjuntos de datos y «software», se obtienen dinámicamente de OpenAIRE .

Resultado final

Data Management Plan (1)

Data Management Plan

Publicaciones

Peer reviewed articles (20)

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

Autores: Flaviano Della Pia, Andrea Zen, Dario Alfè, Angelos Michaelides
Publicado en: Physical Review Letters, Edición 133, 2024, ISSN 0031-9007
Editor: American Physical Society (APS)
DOI: 10.1103/PhysRevLett.133.046401

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

Autores: Kuo-Yang Chiang, Xiaoqing Yu, Chun-Chieh Yu, Takakazu Seki, Shumei Sun, Mischa Bonn, Yuki Nagata
Publicado en: Physical Review Letters, Edición 131, 2023, ISSN 0031-9007
Editor: American Physical Society (APS)
DOI: 10.1103/PhysRevLett.131.256202

Journal of the American Chemical Society

Autores: Benjamin X. Shi; Andrea Zen; Venkat Kapil; Péter R. Nagy; Andreas Grüneis; Angelos Michaelides
Publicado en: Journal of the American Chemical Society, 2023, ISSN 0002-7863
Editor: 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

Autores: Yongkang Wang, Fujie Tang, Xiaoqing Yu, Tatsuhiko Ohto, Yuki Nagata, Mischa Bonn
Publicado en: Angewandte Chemie International Edition, Edición 63, 2024, ISSN 1433-7851
Editor: Wiley
DOI: 10.1002/anie.202319503

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

Autores: Nathan Bigan, Mathieu Lizée, Marc Pascual, Antoine Niguès, Lydéric Bocquet, Alessandro Siria
Publicado en: Soft Matter, Edición 20, 2024, ISSN 1744-683X
Editor: Royal Society of Chemistry (RSC)
DOI: 10.1039/D4SM01006J

Collective modes and quantum effects in two-dimensional nanofluidic channels

Autores: Baptiste Coquinot, Maximilian Becker, Roland R. Netz, Lydéric Bocquet, Nikita Kavokine
Publicado en: Faraday Discussions, Edición 249, 2023, ISSN 1359-6640
Editor: Royal Society of Chemistry (RSC)
DOI: 10.1039/D3FD00115F

Journal of Chemical Physics

Autores: Samuel G. H. Brookes; Venkat Kapil; Christoph Schran; Angelos Michaelides
Publicado en: J Chem Phys, 2024, ISSN 0021-9606
Editor: American Institute of Physics
DOI: 10.48550/arxiv.2406.15230

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

Autores: Min Liu, Tobias Reimer, Yongkang Wang, Mathias Kläui, Yaowen Xing, Xiahui Gui, Yijun Cao, Rüdiger Berger, Hai Wang, Mischa Bonn
Publicado en: Advanced Materials Technologies, 2024, ISSN 2365-709X
Editor: Wiley
DOI: 10.1002/admt.202401172

Origin of dielectric polarization suppression in confined water from first principles

Autores: T. Dufils; C. Schran; J. Chen; A. K. Geim; L. Fumagalli; A. Michaelides
Publicado en: Chemical Science, 2024, ISSN 2041-6539
Editor: 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

Autores: Yongkang Wang; Fujie Tang; Xiaoqing Yu; Tatsuhiko Ohto; Yuki Nagata; Mischa Bonn
Publicado en: Angewandte Chemie, 2024, ISSN 0044-8249
Editor: Wiley
DOI: 10.1002/ange.202319503

Faraday Discussions

Autores: Venkat Kapil; Dávid Péter Kovács; Gábor Csányi; Angelos Michaelides
Publicado en: Faraday Discussions, 2024, ISSN 1359-6640
Editor: Royal Society of Chemistry
DOI: 10.1039/d3fd00113j

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

Autores: Chun-Chieh Yu, Takakazu Seki, Kuo-Yang Chiang, Yongkang Wang, Mischa Bonn, Yuki Nagata
Publicado en: The Journal of Chemical Physics, Edición 160, 2024, ISSN 0021-9606
Editor: AIP Publishing
DOI: 10.1063/5.0190519

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

Autores: Laura Scalfi; Maximilian R. Becker; Roland R. Netz; Marie-Laure Bocquet
Publicado en: Communications Chemistry, 2023, ISSN 2399-3669
Editor: Nature Research
DOI: 10.1038/s42004-023-01027-9

Nano Letters

Autores: Kara D. Fong; Barbara Sumić; Niamh O’Neill; Christoph Schran; Clare P. Grey; Angelos Michaelides
Publicado en: Nano Letters, 2024, ISSN 1530-6984
Editor: American Chemical Society
DOI: 10.26434/chemrxiv-2024-r67mx

Surface stratification determines the interfacial water structure of simple electrolyte solutions

Autores: Yair Litman, Kuo-Yang Chiang, Takakazu Seki, Yuki Nagata, Mischa Bonn
Publicado en: Nature Chemistry, Edición 16, 2024, ISSN 1755-4330
Editor: 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

Autores: Yongkang Wang; Takakazu Seki; Paschalis Gkoupidenis; Yunfei Chen; Yuki Nagata; Mischa Bonn
Publicado en: Proceedings of the National Academy of Sciences of the United States of America, 2024, ISSN 0027-8424
Editor: National Academy of Sciences
DOI: 10.1073/pnas.2314347121

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

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

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

Autores: Baptiste Coquinot; Lydéric Bocquet; Nikita Kavokine
Publicado en: Proc Natl Acad Sci U S A, 2024, ISSN 0027-8424
Editor: National Academy of Sciences
DOI: 10.48550/arxiv.2403.20209

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

Autores: Mischa Bonn
Publicado en: Faraday Discussions, Edición 249, 2024, ISSN 1359-6640
Editor: Royal Society of Chemistry (RSC)
DOI: 10.1039/D3FD00153A

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

Autores: Chun-Chieh Yu, Kuo-Yang Chiang, Ali Dhinojwala, Mischa Bonn, Johannes Hunger, Yuki Nagata
Publicado en: The Journal of Physical Chemistry Letters, Edición 15, 2024, ISSN 1948-7185
Editor: 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

Autores: Takakazu Seki; Chun-Chieh Yu; Kuo-Yang Chiang; Xiaoqing Yu; Shumei Sun; Mischa Bonn; Yuki Nagata
Publicado en: Environ Sci Technol, 2024
Editor: American Chemical Society.
DOI: 10.1021/acs.est.3c08243

Quasi-one-dimensional hydrogen bonding in nanoconfined ice

Autores: Ravindra, Pavan; Advincula, Xavier R; Schran, Christoph; Michaelides, Angelos; Kapil, Venkat
Publicado en: Nature Communications, 2024
Editor: NATURE PORTFOLIO
DOI: 10.17863/cam.111396

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

Autores: Niamh O’Neill; Benjamin X. Shi; Kara Fong; Angelos Michaelides; Christoph Schran
Publicado en: The Journal of Physical Chemistry Letters, 2024
Editor: ACS Publications
DOI: 10.48550/arxiv.2311.01527