Low temperature X-ray absorption spectroscopy study of CuMoO4 and CuMo0.90W0.10O4 using reverse Monte-Carlo method

Inga Pudža; Arturs Cintiņš; Aleksandrs Kaļinko; Roman Chernikov; Aleksejs Kuzmins

doi:10.1016/j.radphyschem.2019.108411

Low temperature X-ray absorption spectroscopy study of CuMoO4 and CuMo0.90W0.10O4 using reverse Monte-Carlo method

Inga Pudža^*
, Arturs Cintiņš
, Aleksandrs Kaļinko
, Roman Chernikov
, Aleksejs Kuzmins

^*Šī darba korespondējošais autors

Pētījuma izpildes rezultāts: Devums žurnālam › Zinātniskais raksts (žurnālā) › koleģiāli recenzēts

10 Atsauces (Scopus)

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Reversible thermochromic phase transition between α- and γ-phases was studied in CuMoO₄ and CuMo_0.90W_0.10O₄ using X-ray absorption spectroscopy in the temperature range of 10–300 K. Reverse Monte Carlo modelling with evolutionary algorithm approach at several absorption edges simultaneously was applied to extract structural information encoded in the experimental EXAFS spectra. The obtained results show that an addition of 10 mol% of tungsten to CuMoO₄ induces local distortions in the structure and stabilizes the γ-phase, leading to an increase of the phase transition temperature by ~50–100 K.

Oriģinālvaloda	Angļu
Raksta numurs	108411
Žurnāls	Radiation Physics and Chemistry
Sējums	175
DOIs	https://doi.org/10.1016/j.radphyschem.2019.108411
Publikācijas statuss	Publicēts - okt. 2020

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@article{c6cbcb6fcdf646d58efbc653fa6c8700,

title = "Low temperature X-ray absorption spectroscopy study of CuMoO4 and CuMo0.90W0.10O4 using reverse Monte-Carlo method",

abstract = "Reversible thermochromic phase transition between α- and γ-phases was studied in CuMoO4 and CuMo0.90W0.10O4 using X-ray absorption spectroscopy in the temperature range of 10–300 K. Reverse Monte Carlo modelling with evolutionary algorithm approach at several absorption edges simultaneously was applied to extract structural information encoded in the experimental EXAFS spectra. The obtained results show that an addition of 10 mol\% of tungsten to CuMoO4 induces local distortions in the structure and stabilizes the γ-phase, leading to an increase of the phase transition temperature by \textasciitilde{}50–100 K.",

keywords = "CuMoO, EXAFS, Reverse Monte Carlo, X-ray absorption spectroscopy, XANES",

author = "Inga Pud{\v z}a and Arturs Cintiņ{\v s} and Aleksandrs Kaļinko and Roman Chernikov and Aleksejs Kuzmins",

note = "Publisher Copyright: {\textcopyright} 2019 Elsevier Ltd",

year = "2020",

month = oct,

doi = "10.1016/j.radphyschem.2019.108411",

language = "English",

volume = "175",

journal = "Radiation Physics and Chemistry",

issn = "0969-806X",

publisher = "Elsevier Ltd",

}

TY - JOUR

T1 - Low temperature X-ray absorption spectroscopy study of CuMoO4 and CuMo0.90W0.10O4 using reverse Monte-Carlo method

AU - Pudža, Inga

AU - Cintiņš, Arturs

AU - Kaļinko, Aleksandrs

AU - Chernikov, Roman

AU - Kuzmins, Aleksejs

PY - 2020/10

Y1 - 2020/10

N2 - Reversible thermochromic phase transition between α- and γ-phases was studied in CuMoO4 and CuMo0.90W0.10O4 using X-ray absorption spectroscopy in the temperature range of 10–300 K. Reverse Monte Carlo modelling with evolutionary algorithm approach at several absorption edges simultaneously was applied to extract structural information encoded in the experimental EXAFS spectra. The obtained results show that an addition of 10 mol% of tungsten to CuMoO4 induces local distortions in the structure and stabilizes the γ-phase, leading to an increase of the phase transition temperature by ~50–100 K.

AB - Reversible thermochromic phase transition between α- and γ-phases was studied in CuMoO4 and CuMo0.90W0.10O4 using X-ray absorption spectroscopy in the temperature range of 10–300 K. Reverse Monte Carlo modelling with evolutionary algorithm approach at several absorption edges simultaneously was applied to extract structural information encoded in the experimental EXAFS spectra. The obtained results show that an addition of 10 mol% of tungsten to CuMoO4 induces local distortions in the structure and stabilizes the γ-phase, leading to an increase of the phase transition temperature by ~50–100 K.

KW - CuMoO

KW - EXAFS

KW - Reverse Monte Carlo

KW - X-ray absorption spectroscopy

KW - XANES

UR - https://dspace.lu.lv/dspace/handle/7/52450%20,%20https://www.sciencedirect.com/science/article/pii/S0969806X18308302

UR - https://www.scopus.com/pages/publications/85069732991

U2 - 10.1016/j.radphyschem.2019.108411

DO - 10.1016/j.radphyschem.2019.108411

M3 - Article

SN - 0969-806X

VL - 175

JO - Radiation Physics and Chemistry

JF - Radiation Physics and Chemistry

M1 - 108411

ER -

Low temperature X-ray absorption spectroscopy study of CuMoO4 and CuMo0.90W0.10O4 using reverse Monte-Carlo method

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