Nuclear Quantum Effects on the Electronic Structure of Water and Ice-Reference-Cited by-同舟云学术

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Nuclear Quantum Effects on the Electronic Structure of Water and Ice

Published:2024-06-25 Issue:26 Volume:15 Page:6818-6825
ISSN:1948-7185
Container-title:The Journal of Physical Chemistry Letters
language:en
Short-container-title:J. Phys. Chem. Lett.

Author:

Berrens Margaret L.¹,Kundu Arpan²^ORCID,Calegari Andrade Marcos F.³^ORCID,Pham Tuan Anh³^ORCID,Galli Giulia²⁴⁵^ORCID,Donadio Davide¹^ORCID

Affiliation:

1. Department of Chemistry, University of California Davis, One Shields Ave.. Davis, California 95616, United States

2. Pritzker School of Molecular Engineering, University of Chicago, Chicago, Illinois 60637, United States

3. Quantum Simulations Group, Materials Science Division, Lawrence Livermore National Laboratory, Livermore, California 94550-5507, United States

4. Department of Chemistry, University of Chicago, Chicago, Illinois 60637, United States

5. Materials Science Division and Center for Molecular Engineering, Argonne National Laboratory, Lemont, Illinois 60439, United States

Funder

Division of Chemistry

Energy Frontier Research Centers

Basic Energy Sciences

Division of Chemical, Bioengineering, Environmental, and Transport Systems

Publisher

American Chemical Society (ACS)

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpclett.4c01315

Reference70 articles.

1. Atmospheric Spectroscopy and Photochemistry at Environmental Water Interfaces

2. Water in the deep Earth: The dielectric constant and the solubilities of quartz and corundum to 60kb and 1200°C

3. Solar Water Splitting Cells

4. Photoelectrochemical cells

5. Probing the electronic structure of liquid water with many-body perturbation theory

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