X-Ray Diffraction and in-Situ Synchrotron Studies on Phase Evolution in Pr2NiO4: Understanding the Local Structure Changes

We present the identification of crystalline phases by in situ X-ray diffraction during growth and monitor the phase evolution during subsequent thermal treatment of CH3NH3PbX3 (X = I, Br, Cl) perovskite thin films.

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Mechanistic insight of KBiQ2 (Q = S, Se) using panoramic synthesis towards synthesis-by-design

Chemical Science ◽

10.1039/d0sc04562d ◽

2021 ◽

Author(s):

Rebecca McClain ◽

Christos D. Malliakas ◽

Jiahong Shen ◽

Jiangang He ◽

Chris Wolverton ◽

...

Keyword(s):

Crystalline Phase ◽

Phase Evolution ◽

X Ray Diffraction ◽

Panoramic View ◽

X Ray ◽

Mechanistic Insight

This work uses in situ powder X-ray diffraction studies to observe crystalline phase evolution over the course of multiple K-Bi-Q (Q = S, Se) reactions, thereby constructing a “panoramic” view of each reaction from beginning to end.

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Phase evolution of (Ni, Co, Mn)O4 during heat treatment with high temperature in situ X-ray diffraction

Ceramics International ◽

10.1016/j.ceramint.2015.12.079 ◽

2016 ◽

Vol 42 (4) ◽

pp. 5412-5417 ◽

Cited By ~ 8

Author(s):

Sungwook Mhin ◽

HyukSu Han ◽

Donghyun Kim ◽

Sunghwan Yeo ◽

Jung-Il Lee ◽

...

Keyword(s):

Heat Treatment ◽

High Temperature ◽

Phase Evolution ◽

X Ray Diffraction ◽

X Ray

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Crystal Structure Changes during Overcharge of Mg Substituted Li(Ni,Co,Al)O2 by In Situ Synchrotron X-ray Diffraction

ECS Meeting Abstracts ◽

10.1149/ma2010-03/1/559 ◽

2010 ◽

Keyword(s):

Crystal Structure ◽

X Ray Diffraction ◽

X Ray ◽

Structure Changes

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Comparative studies of the phase evolution in M-doped LixMn1.5Ni0.5O4 (M = Co, Al, Cu and Mg) by in-situ X-ray diffraction

Journal of Power Sources ◽

10.1016/j.jpowsour.2014.03.122 ◽

2014 ◽

Vol 264 ◽

pp. 290-298 ◽

Cited By ~ 30

Author(s):

W. Zhu ◽

D. Liu ◽

J. Trottier ◽

C. Gagnon ◽

A. Guerfi ◽

...

Keyword(s):

Comparative Studies ◽

Phase Evolution ◽

X Ray Diffraction ◽

X Ray

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Electrochemically Induced Phase Evolution of Lithium Vanadium Oxide: Complementary Insights Gained viaEx-Situ,In-Situ, andOperandoExperiments and Density Functional Theory

MRS Advances ◽

10.1557/adv.2018.281 ◽

2018 ◽

Vol 3 (22) ◽

pp. 1255-1260 ◽

Cited By ~ 3

Author(s):

Jiefu Yin ◽

Wenzao Li ◽

Mikaela Dunkin ◽

Esther S. Takeuchi ◽

Kenneth J. Takeuchi ◽

...

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Structural Evolution ◽

Phase Evolution ◽

X Ray Diffraction ◽

Functional Theory ◽

X Ray ◽

Α Phase ◽

Lithium Vanadium Oxide

ABSTRACTUnderstanding the structural evolution of electrode material during electrochemical activity is important to elucidate the mechanism of (de)lithiation, and improve the electrochemical function based on the material properties. In this study, lithium vanadium oxide (LVO, LiV3O8) was investigated using ex-situ, in-situ, and operando experiments. Via a combination of in-situ X-ray diffraction (XRD) and density functional theory results, a reversible structural evolution during lithiation was revealed: from Li poor α phase (LiV3O8) to Li rich α phase (Li2.5V3O8) and finally β phase (Li4V3O8). In-situ and operando energy dispersive X-ray diffraction (EDXRD) provided tomographic information to visualize the spatial location of the phase evolution within the LVO electrode while inside a sealed lithium ion battery.

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Laboratory X-ray Diffraction Complex for In Situ Investigations of Structural Phase Evolution of Materials under Gaseous Atmosphere

Metals ◽

10.3390/met10040447 ◽

2020 ◽

Vol 10 (4) ◽

pp. 447 ◽

Cited By ~ 3

Author(s):

Maxim Syrtanov ◽

Georgiy Garanin ◽

Egor Kashkarov ◽

Natalia Pushilina ◽

Viktor Kudiiarov ◽

...

Keyword(s):

Electron Beam ◽

Hydrogen Pressure ◽

Structural Phase ◽

Phase Evolution ◽

Gaseous Atmosphere ◽

X Ray Diffraction ◽

X Ray ◽

Ti Powder ◽

Cp Ti

In this work, a laboratory X-ray diffraction complex for in situ investigations of structural phase evolution of materials under gaseous atmosphere and elevated temperatures was developed. The approbation of the complex was carried out using a commercially pure titanium (CP-Ti) powder, zirconium (Zr-1Nb) alloy and electron beam melted Ti-6Al-4V alloy. It was established that hydrogenation of the CP-Ti powder occurred at a temperature of 500 °C and a hydrogen pressure of 0.5 atm, accompanied by the formation of metastable γ titanium hydride (γ-TiH) phase. The lifetime of the γ-TiH phase was 35–40 min. Decomposition of the γ-TiH occurred after reaching a temperature of 650 °C as a result of the thermally stimulated desorption of hydrogen. The α-Zr → δ-ZrH phase transformation was observed under hydrogenation of the zirconium Zr-1Nb alloy at a temperature of 350 °C and a hydrogen pressure of 0.5 atm. It was revealed that the increase in hydrogenation temperature to 450 °C accelerated this transformation by two times. Hydrogenation of the electron beam melted titanium Ti-6Al-4V alloy at a temperature of 650 °C and hydrogen pressure of 0.5 atm was accompanied by the α → α + β → β + α2 phase transformations.

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Exploring the rate dependence of phase evolution in P2-type Na2/3Mn0.8Fe0.1Ti0.1O2

Journal of Materials Chemistry A ◽

10.1039/c9ta01366k ◽

2019 ◽

Vol 7 (19) ◽

pp. 12115-12125 ◽

Cited By ~ 3

Author(s):

Damian Goonetilleke ◽

Sunny Wang ◽

Elena Gonzalo ◽

Montserrat Galcerán ◽

Damien Saurel ◽

...

Keyword(s):

Electrode Material ◽

High Performance ◽

Structural Evolution ◽

Phase Evolution ◽

Sodium Ion ◽

Sodium Ion Batteries ◽

X Ray Diffraction ◽

X Ray

P2-type Na2/3Mn0.8Fe0.1Ti0.1O2, a promising high-performance electrode material for use in ambient temperature sodium-ion batteries, is examined using operando and long-term in situ synchrotron X-ray diffraction studies to reveal the structural evolution during battery function.

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Complex phase evolution of Brushite-based calcium phosphate CaHPO4·2H2O using in situ high temperature X-ray diffraction and thermal analysis

10.21203/rs.3.rs-44209/v1 ◽

2020 ◽

Author(s):

Mouatamid El Hazzat ◽

Adnane El Hamidi ◽

Mohammed Halim ◽

said ARSALANE

Keyword(s):

Thermal Analysis ◽

Infrared Spectroscopy ◽

High Temperature ◽

Calcium Phosphate ◽

Amorphous Phase ◽

Phase Evolution ◽

High Temperature Treatment ◽

X Ray Diffraction ◽

X Ray

Abstract This study focused on a detailed examination of the thermal behavior of Brushite-based calcium phosphate (CaHPO 4 .2H 2 O, DCPD) to identify and characterize the intermediate phases which have been the subject of previous several controversies. For that, in situ high-temperature X-ray diffraction supported by infrared spectroscopy, thermal analysis, and scanning electron microscopy analysis were used and the results showed that the progressive thermal stress of DCPD in air resulted in a heterogeneous formulation consisting of dibasic calcium phosphate anhydrous (CaHPO 4 , DCPA) and an amorphous phase, which appears at low temperatures (~160 °C) and persists up to 375 °C. The deep examination of the amorphous phase by infrared spectroscopy revealed that its chemical composition is similar to that of disordered calcium pyrophosphate (Ca 2 P 2 O 7 , CPP) with the appearance of a characteristic band δ(P-O-P), located at 740 cm -1 . This IR band is shifted to low frequencies (725 cm -1 ) as the temperature is increased, indicating the crystallization of the amorphous phase into γ-CPP. The high temperature treatment (≥ 375 °C) leads to b-CPP polymorph. According to the present characterization results, obtaining pure DCPA from the thermal dehydration of DCPD is not effective and leads to biphasic materials including an amorphous phase.

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