Probing rutile solid-phase crystallization of atomically mixed Mn-alloyed TiO2 coatings through XANES analysis

Solanki, Devan; Röhr, Jason A.; Fishman, Zachary S.; Liu, Bin; Yanagi, Rito; Stavitski, Eli; Lu, Deyu; Hu, Shu

doi:10.1557/s43579-023-00497-1

Title: Probing rutile solid-phase crystallization of atomically mixed Mn-alloyed TiO₂ coatings through XANES analysis

Journal Article · 27 November 2023 · MRS communications

DOI: https://doi.org/10.1557/s43579-023-00497-1 · OSTI ID:2280501

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^[1]; Liu, Bin ^[1]; Yanagi, Rito ^[1]; Stavitski, Eli ^[3];

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Yale University, New Haven, CT (United States)
Yale University, New Haven, CT (United States); University of Pennsylvania, Philadelphia, PA (United States)
Brookhaven National Laboratory (BNL), Upton, NY (United States). National Synchrotron Light Source II (NSLS-II)
Brookhaven National Laboratory (BNL), Upton, NY (United States). Center for Functional Nanomaterials (CFN)

Phase transformation via dopant introduction is an emerging strategy for tuning the electronic and catalytic properties of oxides. However, developing a general theory of ternary alloys and their microstructure evolution remains challenging due to the knowledge gaps in how point defects such as dopants lead to the formation of complex or metastable phases. We investigate the influence of Mn concentration and annealing temperature on the microstructure evolution of amorphous Mn-alloyed TiO₂ synthesized via Atomic Layer Deposition. In conclusion, our findings reveal a new crystallization pathway resulting in a direct amorphous TiO₂ to rutile transformation without an intermediate anatase phase and our multi-parameter thermal processing conditions show potential for AI-assisted data acquisition and analysis for studying complex oxide coatings.

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Research Organization:: Brookhaven National Laboratory (BNL), Upton, NY (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES). Scientific User Facilities (SUF); USDOE Office of Science (SC), Basic Energy Sciences (BES). Chemical Sciences, Geosciences & Biosciences Division (CSGB); USDOE Office of Energy Efficiency and Renewable Energy (EERE), Office of Sustainable Transportation. Hydrogen Fuel Cell Technologies Office (HFTO)

Grant/Contract Number:: SC0012704; SC0021953; EE0010734

OSTI ID:: 2280501

Report Number(s):: BNL--225128-2023-JAAM; {"","Journal ID: ISSN 2159-6867"}

Journal Information:: MRS communications, Journal Name: MRS communications Vol. 14; ISSN 2159-6867

Publisher:: Springer NatureCopyright Statement

Country of Publication:: United States

Language:: English

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Mn-alloyed TiO2
Atomic Layer Deposition
X-ray absorption spectroscopy

Title: Probing rutile solid-phase crystallization of atomically mixed Mn-alloyed TiO2 coatings through XANES analysis

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Title: Probing rutile solid-phase crystallization of atomically mixed Mn-alloyed TiO₂ coatings through XANES analysis