/Ab-inito-molecular-dynamics/In(OH)3-m-ZrO2/In(OH)3-m-ZrO2-CH3O In(OH)₃-m-ZrO₂-CH₃O-part4

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output.cml	6.38 MB	Chemical Markup Language	Download
INCAR	1.2 kB	Unknown	Download
XDATCAR	18.98 MB	Unknown	Download

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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-ZrO2/In(OH)3-m-ZrO2-CH3O In(OH)₃-m-ZrO₂-CH₃O-part4
Authors:	Ritopecki, Milica
Issue Date:	2-Dec-2025
Publisher:	Institute of Chemical Research of Catalonia
Abstract:	Ab inito molecular dynamics for In(OH)₃-m-ZrO₂ with one oxygen vacancy and CH₃O intermediate, part 4. XDATCAR contains all the steps of AIMD.
URI:	https://iochem-bd.iciq.es/browse/handle/100/110023
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/100/110023

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