Vibrational spectra of dissociatively adsorbed D2O on Al-terminated α-Al2O3(0001) surfaces from ab initio molecular dynamics-Reference-Cited by-同舟云学术

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Vibrational spectra of dissociatively adsorbed D2O on Al-terminated α-Al2O3(0001) surfaces from ab initio molecular dynamics

Published:2019-06-28 Issue:24 Volume:150 Page:244701
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:J. Chem. Phys.

Author:

Melani Giacomo¹^ORCID,Nagata Yuki²^ORCID,Campen R. Kramer³^ORCID,Saalfrank Peter¹^ORCID

Affiliation:

1. Theoretische Chemie, Institut für Chemie, Universität Potsdam, Karl-Liebknecht-Straße 24-25, D-14476 Potsdam-Golm, Germany

2. Max-Planck-Institut für Polymerforschung, Ackermannweg 10, 55128 Mainz, Germany

3. Fritz-Haber-Institut der Max-Planck-Gesellschaft, Faradayweg 4-6, D-14195 Berlin, Germany

Funder

Fritz-Haber-Institut der Max-Planck-Gesellschaft

North-German Supercomputing Alliance

Deutsche Forschungsgemeinschaft

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/1.5099895

Reference71 articles.

1. Oxide surfaces

2. Metal Oxide Surfaces and Their Interactions with Aqueous Solutions and Microbial Organisms

3. The interaction of water with solid surfaces: fundamental aspects revisited

4. Water at Interfaces

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