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Connection between Structure and Physical Properties of Prussian Blue Analogues.

Record Type:	Electronic resources : Monograph/item
Title/Author:	Connection between Structure and Physical Properties of Prussian Blue Analogues./
Author:	Minuddin, Md.
Description:	1 online resource (132 pages)
Notes:	Source: Dissertations Abstracts International, Volume: 83-12, Section: B.
Contained By:	Dissertations Abstracts International83-12B.
Subject:	Physics. -
Online resource:	http://pqdd.sinica.edu.tw/twdaoapp/servlet/advanced?query=29161239click for full text (PQDT)
ISBN:	9798819380321

Connection between Structure and Physical Properties of Prussian Blue Analogues.
Minuddin, Md.

Connection between Structure and Physical Properties of Prussian Blue Analogues. - 1 online resource (132 pages)

Source: Dissertations Abstracts International, Volume: 83-12, Section: B.

Thesis (Ph.D.)--New Mexico State University, 2022.

Includes bibliographical references

New materials with tunable functional properties become essential to cope with the rapid growth of modern technology. The physical and chemical properties of Prussian Blue Analogues can be tuned in great content by atomic substitutions. Although the use of Prussian Blue started as a blue pigment, now its Analogues, i.e., Prussian Blue Analogues, are being considered for their enormous technological potential in a variety of applications, such as gas sensors/detectors, hydrogen-storage materials, magneto-optical devices, negative thermal expansion materials, cathode materials for energy applications, magnetocaloric materials, and/or radioactive-element absorbers. Most of these applications exploit the open-framework structural features of Prussian Blue Analogues, while others utilize properties related to their composition. In this dissertation, I, therefore, explored the crystal structure and its potential relation with other properties.First, I performed a survey study of 2:1 Prussian Blue Analogues with chemical formulae M2[Fe(CN)6]. \uD835\uDC65H2O, where M = Mn, Co, Ni, and Cu; and x is the number of water molecules. These materials were prepared using the chemical precipitation method, and the initial characterization included Fourier Transform Infrared (FTIR) spectroscopy, Thermogravimetric/Differential Scanning Calorimetry (TGA/DSC), and X-ray diffraction (XRD) studies. After that, I performed inelastic neutron scattering (INS) studies to gain some insight into the vibrational spectra of this family of Prussian Blue Analogues. The results provided some insight into whether resonant-unit-modes (RUMs) could be the underlying mechanism for negative-thermal-expansion (NTE) behavior that has been observed in several other Prussian Blue Analogues. My results indicate that vibrational modes are unlikely to be responsible for the negative thermal expansion in this class of materials. Many Prussian Blue Analogues are believed to have defects and partially occupied sites as a result of their synthesis process. A result of charge compensation of those defect sites results that most Prussian Blue Analogues will contain water molecules. The water content in the Prussian Blue Analogues impacts the stability of the structure and its properties. In the literature, the water content is usually measured from the Thermogravimetric (TGA) analysis, where all mass-loss steps are attributed to water loss. However, density-functional-theory (DFT) predicts much lower water content for Prussian Blue Analogues Ni3[Fe(CN)6]2. xH2O compared to TGA results. Using a deuterated.

Electronic reproduction.
Ann Arbor, Mich. :
ProQuest,
2023

Mode of access: World Wide Web

ISBN: 9798819380321Subjects--Topical Terms:

516296
Physics.
Subjects--Index Terms:

Crystal structureIndex Terms--Genre/Form:

542853
Electronic books.

Connection between Structure and Physical Properties of Prussian Blue Analogues.
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500 $a Source: Dissertations Abstracts International, Volume: 83-12, Section: B.
500 $a Advisor: Nakotte, Heinz.
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504 $a Includes bibliographical references
520 $a New materials with tunable functional properties become essential to cope with the rapid growth of modern technology. The physical and chemical properties of Prussian Blue Analogues can be tuned in great content by atomic substitutions. Although the use of Prussian Blue started as a blue pigment, now its Analogues, i.e., Prussian Blue Analogues, are being considered for their enormous technological potential in a variety of applications, such as gas sensors/detectors, hydrogen-storage materials, magneto-optical devices, negative thermal expansion materials, cathode materials for energy applications, magnetocaloric materials, and/or radioactive-element absorbers. Most of these applications exploit the open-framework structural features of Prussian Blue Analogues, while others utilize properties related to their composition. In this dissertation, I, therefore, explored the crystal structure and its potential relation with other properties.First, I performed a survey study of 2:1 Prussian Blue Analogues with chemical formulae M2[Fe(CN)6]. \uD835\uDC65H2O, where M = Mn, Co, Ni, and Cu; and x is the number of water molecules. These materials were prepared using the chemical precipitation method, and the initial characterization included Fourier Transform Infrared (FTIR) spectroscopy, Thermogravimetric/Differential Scanning Calorimetry (TGA/DSC), and X-ray diffraction (XRD) studies. After that, I performed inelastic neutron scattering (INS) studies to gain some insight into the vibrational spectra of this family of Prussian Blue Analogues. The results provided some insight into whether resonant-unit-modes (RUMs) could be the underlying mechanism for negative-thermal-expansion (NTE) behavior that has been observed in several other Prussian Blue Analogues. My results indicate that vibrational modes are unlikely to be responsible for the negative thermal expansion in this class of materials. Many Prussian Blue Analogues are believed to have defects and partially occupied sites as a result of their synthesis process. A result of charge compensation of those defect sites results that most Prussian Blue Analogues will contain water molecules. The water content in the Prussian Blue Analogues impacts the stability of the structure and its properties. In the literature, the water content is usually measured from the Thermogravimetric (TGA) analysis, where all mass-loss steps are attributed to water loss. However, density-functional-theory (DFT) predicts much lower water content for Prussian Blue Analogues Ni3[Fe(CN)6]2. xH2O compared to TGA results. Using a deuterated.
533 $a Electronic reproduction. $b Ann Arbor, Mich. : $c ProQuest, $d 2023
538 $a Mode of access: World Wide Web
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650 4 $a Condensed matter physics. $3 3173567
650 4 $a Materials science. $3 543314
653 $a Crystal structure
653 $a Pair distribution function
653 $a Prussian blue analogues
653 $a Rietveld refinement
653 $a Vibrational spectroscopy
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