Alternate identifier:
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Related identifier:
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Creator/Author:
Marchuk, Vasyl https://orcid.org/0000-0002-5169-1943 [Institut für Technische Chemie und Polymerchemie]

Sharapa, Dmitry I. https://orcid.org/0000-0001-9510-9081 [Institut für Katalyseforschung und -technologie]

Grunwaldt, Jan-Dierk https://orcid.org/0000-0003-3606-0956 [Institut für Technische Chemie und Polymerchemie]

Doronkin, Dmitry E. https://orcid.org/0000-0003-3930-3204 [Institut für Katalyseforschung und -technologie]
Contributors:
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Title:
Atomic coordinates of DFT-optimized Pt structures with O, N, and NHx species in surface or interstitial locations
Additional titles:
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Description:
(Technical Remarks) An archive with xyz-coordinates of atoms in 4-layer Pt(100) slabs and species present in their surface or interstitial locations under conditions of ammonia oxidation over Pt-based catalysts. The species enclosed are O, N, and NHx. The atomic coordinates of these structures were optimized by DFT and...
Keywords:
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Language:
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Version:
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Production year:
Subject areas:
Chemistry
Resource type:
Dataset
Data source:
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Software used:
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Data processing:
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Publication year:
Funding:
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Name Storage Metadata Upload Action
Status:
Published
Uploaded by:
kitopen
Created on:
Archiving date:
2023-10-17
Archive size:
22.5 kB
Archive creator:
kitopen
Archive checksum:
7962bce8bf4c0ca732f6fb2abdf8939f (MD5)
Embargo period:
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