東華大學圖書館 |

Language: English

Help

回圖書館首頁

手機版館藏查詢

Back

Switch To: Labeled | MARC Mode | ISBD

Adsorbate Interactions in Metal-Orga...

Fahy, Kira May,

Linked to FindBook

Google Book

Amazon

博客來

Adsorbate Interactions in Metal-Organic Frameworks: Mechanistic and Thermodynamic Insights for Applications From Energy to Defense /

Record Type:	Electronic resources : Monograph/item
Title/Author:	Adsorbate Interactions in Metal-Organic Frameworks: Mechanistic and Thermodynamic Insights for Applications From Energy to Defense // Kira May Fahy.
Author:	Fahy, Kira May,
Description:	1 electronic resource (304 pages)
Notes:	Source: Dissertations Abstracts International, Volume: 86-12, Section: B.
Contained By:	Dissertations Abstracts International86-12B.
Subject:	Chemistry. -
Online resource:	https://pqdd.sinica.edu.tw/twdaoapp/servlet/advanced?query=31997909
ISBN:	9798315799870

Adsorbate Interactions in Metal-Organic Frameworks: Mechanistic and Thermodynamic Insights for Applications From Energy to Defense /
Fahy, Kira May,

Adsorbate Interactions in Metal-Organic Frameworks: Mechanistic and Thermodynamic Insights for Applications From Energy to Defense /Kira May Fahy. - 1 electronic resource (304 pages)

Source: Dissertations Abstracts International, Volume: 86-12, Section: B.

The mitigation of toxic chemicals is of paramount importance for the health and safety of our communities. No such chemicals stand out in their proclivity to harm humans and the environment more so than greenhouse gases (such as CO2) and organophosphorus compounds (such as nerve agents and pesticides). Metal-organic frameworks (MOFs) have emerged as a class of highly porous, crystalline, and tunable materials with great promise in the capture and detoxification or upcycling of many harmful chemicals. This dissertation investigates MOF/adsorbate binding interactions to elucidate fundamental thermodynamic principles governing sorption and catalytic behavior. The study progresses from simple small-molecule gas adsorption systems to complex MOF composites with large metal-oxo clusters, culminating in the application of the developed methodologies to structurally and chemically diverse MOFs. The overarching goal is to understand molecular-level thermodynamic binding phenomena that dictate bulk material properties, ultimately guiding the design of improved MOF sorbents and catalysts.Chapter 2 introduces a post-synthetic modification strategy to prepare a new MOF with enhanced electronic properties, leading to more thermodynamically favorable CO2 adsorption. Chapter 3 explores the binding interactions between an organophosphorus compound and a series of MOFs with varying catalytic performances, proposing a thermodynamic mechanism for catalyst inhibition. In Chapter 4, the characterization techniques developed in Chapter 3 are expanded to establish structure-property relationships governing the thermodynamics of MOF composite formation. Finally, Chapter 5 broadens the scope of organophosphorus-MOF binding studies, integrating isothermal titration calorimetry (ITC) with advanced analytical techniques to provide deeper insights into binding motifs and thermodynamic driving forces. Together, these findings contribute to the fundamental understanding of MOF sorption and catalytic behavior, offering new perspectives on rational material design for targeted applications.

English

ISBN: 9798315799870Subjects--Topical Terms:

516420
Chemistry.
Subjects--Index Terms:

CO2 adsorption

Adsorbate Interactions in Metal-Organic Frameworks: Mechanistic and Thermodynamic Insights for Applications From Energy to Defense /
LDR:03600nmm a22004453i 4500 001 2434878
005 20251001062546.5
006 m o d
007 cr|nu||||||||
008 261011s2025 miu||||||m |||||||eng d
020 $a 9798315799870
035 $a (MiAaPQD)AAI31997909
035 $a AAI31997909
040 $a MiAaPQD $b eng $c MiAaPQD $e rda
100 1 $a Fahy, Kira May, $e author. $0 (orcid)0000-0001-6490-3004 $3 3825012
245 1 0 $a Adsorbate Interactions in Metal-Organic Frameworks: Mechanistic and Thermodynamic Insights for Applications From Energy to Defense / $c Kira May Fahy.
264 1 $a Ann Arbor : $b ProQuest Dissertations & Theses, $c 2025
300 $a 1 electronic resource (304 pages)
336 $a text $b txt $2 rdacontent
337 $a computer $b c $2 rdamedia
338 $a online resource $b cr $2 rdacarrier
500 $a Source: Dissertations Abstracts International, Volume: 86-12, Section: B.
500 $a Advisors: Farha, Omar K. Committee members: Kanatzidis, Mercouri; Malapit, Christian.
502 $b Ph.D. $c Northwestern University $d 2025.
520 $a The mitigation of toxic chemicals is of paramount importance for the health and safety of our communities. No such chemicals stand out in their proclivity to harm humans and the environment more so than greenhouse gases (such as CO2) and organophosphorus compounds (such as nerve agents and pesticides). Metal-organic frameworks (MOFs) have emerged as a class of highly porous, crystalline, and tunable materials with great promise in the capture and detoxification or upcycling of many harmful chemicals. This dissertation investigates MOF/adsorbate binding interactions to elucidate fundamental thermodynamic principles governing sorption and catalytic behavior. The study progresses from simple small-molecule gas adsorption systems to complex MOF composites with large metal-oxo clusters, culminating in the application of the developed methodologies to structurally and chemically diverse MOFs. The overarching goal is to understand molecular-level thermodynamic binding phenomena that dictate bulk material properties, ultimately guiding the design of improved MOF sorbents and catalysts.Chapter 2 introduces a post-synthetic modification strategy to prepare a new MOF with enhanced electronic properties, leading to more thermodynamically favorable CO2 adsorption. Chapter 3 explores the binding interactions between an organophosphorus compound and a series of MOFs with varying catalytic performances, proposing a thermodynamic mechanism for catalyst inhibition. In Chapter 4, the characterization techniques developed in Chapter 3 are expanded to establish structure-property relationships governing the thermodynamics of MOF composite formation. Finally, Chapter 5 broadens the scope of organophosphorus-MOF binding studies, integrating isothermal titration calorimetry (ITC) with advanced analytical techniques to provide deeper insights into binding motifs and thermodynamic driving forces. Together, these findings contribute to the fundamental understanding of MOF sorption and catalytic behavior, offering new perspectives on rational material design for targeted applications.
546 $a English
590 $a School code: 0163
650 4 $a Chemistry. $3 516420
650 4 $a Inorganic chemistry. $3 3173556
650 4 $a Analytical chemistry. $3 3168300
650 4 $a Nanoscience. $3 587832
653 $a CO2 adsorption
653 $a Catalysis
653 $a Metal-organic frameworks
653 $a Nanotechnology
653 $a Toxic chemicals
690 $a 0485
690 $a 0488
690 $a 0565
690 $a 0486
710 2 $a Northwestern University. $b Chemistry. $e degree granting institution. $3 3823955
720 1 $a Farha, Omar K. $e degree supervisor.
773 0 $t Dissertations Abstracts International $g 86-12B.
790 $a 0163
791 $a Ph.D.
792 $a 2025
856 4 0 $u https://pqdd.sinica.edu.tw/twdaoapp/servlet/advanced?query=31997909