/Ab-inito-molecular-dynamics/In(OH)3-m-HfO2/In(OH)3-m-HfO2-pristine In(OH)₃-m-HfO₂-pristine-part3

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output.cml	177.54 MB	Chemical Markup Language	Download
INCAR	1.2 kB	Unknown	Download
XDATCAR	18.51 MB	Unknown	Download

Referenced by:

Manuscript title: Single atoms of indium on hafnia enable superior CO2-based methanol synthesis

Journal: Nat. Nanotechnol.

Metadata:

Title:	/Ab-inito-molecular-dynamics/In(OH)3-m-HfO2/In(OH)3-m-HfO2-pristine In(OH)₃-m-HfO₂-pristine-part3
Authors:	Ritopecki, Milica
Issue Date:	2-Dec-2025
Publisher:	Institute of Chemical Research of Catalonia
Abstract:	Ab inito molecular dynamics for pristine In(OH)₃-m-HfO₂, part 3. XDATCAR contains all the steps of AIMD.
URI:	https://iochem-bd.iciq.es/browse/handle/100/109986
Appears in Collections:	InHfOx_InZrOx - DOI: 10.19061/iochem-bd-1-387

Please use this identifier to cite or link to this item: https://iochem-bd.iciq.es/browse/handle/100/109986

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