Public Abstract

DE-FG02-08ER46491: Synthesizing New Metal Organic Frameworks with Tailored Physical and Chemical Properties

Award Status: Inactive

Institution: The University of Texas at Dallas, Richardson, TX
UEI: EJCVPNN1WFS5
DUNS: 800188161

Most Recent Award Date: 03/15/2018
Number of Support Periods: 11
PM: Sennett, Michael

Current Budget Period: 05/15/2018 - 05/14/2019
Current Project Period: 05/15/2016 - 05/14/2019
PI: Chabal, Yves

Supplement Budget Period: N/A

Public Abstract

Synthesizing New Metal Organic Frameworks with Tailored Physical and Chemical Properties Yves Chabal, University of Texas at Dallas Jing Li, Rutgers University Timo Thonhauser, Wake Forest University Metal organic frameworks (MOFs) are an exceptionally interesting and promising class of porous materials with potential to transform crucial technologies ranging from gas storage and separation to sensors and catalysis. When loaded with small molecules, they exhibit exciting new properties. However, poor understanding of small molecule/MOF interactions is hindering rational materials development and progress in many fields relevant to DOE’s mission. To date, MOF syntheses largely rely on time-consuming trial-and-error methods rather than a process guided by systematically coordinated theoretical and experimental efforts. The long-term goal of this program is to understand such interactions and, in turn, provide exact guidelines for synthesizing new MOFs with the desired chemical, mechanical, and electronic properties. The basic experimental and theoretical methods have previously been developed in this program to study these interactions, which makes it possible to now address more challenging questions that are foundational to energy applications such as: How can we synthesize MOFs in a more controlled manner? How do molecules and ions diffuse and interact chemically and/or physically in MOFs? What factors during gas adsorption can affect optical, electrical and mechanical properties? This project combines experimental and theoretical analysis to gain insight into synthesis by answering the above questions. The first objective is to design new MOFs with targeted structure, property, and stability using a precursor approach with predetermined clusters as building blocks, guided by theoretical modeling. Using appropriately tailored MOFs, the second objective is to elucidate the transport (diffusion and interaction) of small molecules inside MOFs with a focus on the diffusion process involved in the fabrication of catalytically active materials that are stable enough to withstand industrially relevant conditions. The third objective is to study the guest molecule’s impact on MOF electrical, optical, and mechanical properties. Overall, the outcome from this highly integrated program will contribute significantly to the advancement of MOF materials development for their use in energy-related applications such as carbon capture, catalysis and sensors.

Synthesizing New Metal Organic Frameworks with Tailored Physical and Chemical Properties

Yves Chabal, University of Texas at Dallas

Jing Li, Rutgers University

Timo Thonhauser, Wake Forest University

Metal organic frameworks (MOFs) are an exceptionally interesting and promising class of porous materials with potential to transform crucial technologies ranging from gas storage and separation to sensors and catalysis. When loaded with small molecules, they exhibit exciting new properties. However, poor understanding of small molecule/MOF interactions is hindering rational materials development and progress in many fields relevant to DOE’s mission. To date, MOF syntheses largely rely on time-consuming trial-and-error methods rather than a process guided by systematically coordinated theoretical and experimental efforts.

The long-term goal of this program is to understand such interactions and, in turn, provide exact guidelines for synthesizing new MOFs with the desired chemical, mechanical, and electronic properties. The basic experimental and theoretical methods have previously been developed in this program to study these interactions, which makes it possible to now address more challenging questions that are foundational to energy applications such as: How can we synthesize MOFs in a more controlled manner? How do molecules and ions diffuse and interact chemically and/or physically in MOFs? What factors during gas adsorption can affect optical, electrical and mechanical properties?

This project combines experimental and theoretical analysis to gain insight into synthesis by answering the above questions. The first objective is to design new MOFs with targeted structure, property, and stability using a precursor approach with predetermined clusters as building blocks, guided by theoretical modeling. Using appropriately tailored MOFs, the second objective is to elucidate the transport (diffusion and interaction) of small molecules inside MOFs with a focus on the diffusion process involved in the fabrication of catalytically active materials that are stable enough to withstand industrially relevant conditions. The third objective is to study the guest molecule’s impact on MOF electrical, optical, and mechanical properties. Overall, the outcome from this highly integrated program will contribute significantly to the advancement of MOF materials development for their use in energy-related applications such as carbon capture, catalysis and sensors.