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An experimentally validated neural-network potential energy surface for H-atom on free-standing graphene in full dimensionality

Crossref DOI link: https://doi.org/10.1039/D0CP03462B

Published Online: 2020

Update policy: https://doi.org/10.1039/rsc_crossmark_policy

Authors

Wille, Sebastian

Jiang, Hongyan https://orcid.org/0000-0003-3559-2774
Bünermann, Oliver https://orcid.org/0000-0001-9837-6548
Wodtke, Alec M. https://orcid.org/0000-0002-6509-2183
Behler, Jörg https://orcid.org/0000-0002-1220-1542
Kandratsenka, Alexander https://orcid.org/0000-0003-2132-1957
Funding

Funding for this research was provided by:

H2020 European Research Council (833404)

Deutsche Forschungsgemeinschaft (INST186/1294-1 FUGG (Project No. 405832858), SFB 1073, projects A04 and C03 (Project No. 2217133147))
License Information

Version of Record valid from 2020-09-04
More Information

SIMILARITY CHECK

: This document is Similarity Check deposited

RELATED DATA

: Supplementary Information

IDENTIFIERS

: Hongyan Jiang (ORCID)

: Oliver Bünermann (ORCID)

: Alec M. Wodtke (ORCID)

: Jörg Behler (ORCID)

: Jörg Behler (ResearcherID)

: Alexander Kandratsenka (ORCID)

: Alexander Kandratsenka (ResearcherID)

PEER REVIEW METHOD

: Single-blind

PUBLICATION HISTORY

: Received 28 June 2020; Accepted 4 September 2020; Accepted Manuscript published 4 September 2020; Advance Article published 11 September 2020; Version of Record published 25 November 2020