Inverse Design of Nanoparticle Metal-Organic Framework · Inverse Design of Nanoparticle...
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Inverse Design of Nanoparticle Metal-Organic Framework Graduate Student Fellows: Jingtian Hu, Tom Zhao Faculty Advisers: Teri Odom, Neelesh Patankar 1 0 0 1 0 1 1 0 1 1 1 0 1 0 0 1 0 1 0 1 0 0 1 0 1 1 0 0 1 0 1 0 0 0 1 0 1 1 1 1 0 0 1 1 1 0 1 0 0 1 0 0 . . . . . . . . . . . . . 1 0 1 1 1 1 1 0 0 0 1 1 0 Optimization Scheme Temperature Field MOF Reactions Temperature(x,y,z) Optimized Structure Research Objective: We propose a design cycle for coupled NP/MOF structures that optimizes the system geometry and materials selection for tasks such as gas storage, drug delivery and catalysis. NP MOF NP, MOF, geometry Absorption(geometry, NP) Gas Storage (geometry, MOF)
Transcript of Inverse Design of Nanoparticle Metal-Organic Framework · Inverse Design of Nanoparticle...
Inverse Design of Nanoparticle Metal-Organic FrameworkGraduate Student Fellows: Jingtian Hu, Tom Zhao Faculty Advisers: Teri Odom, Neelesh Patankar
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Optimization Scheme
Temperature Field
MOF Reactions
Temperature(x,y,z)
Optimized Structure
Research Objective: We propose a design cycle for coupled NP/MOF structures that optimizes the system geometry and materials selection for tasks such as gas storage, drug delivery and catalysis.
NPMOF
NP, MOF, geometry
Absorption(geometry, NP)
Gas Storage (geometry, MOF)
![Metal-Organic Framework Nanoparticle-Based ...metal-organic frameworks (MOFs), which are novel porous materials [7-11]. MOFs are constructed by the coordination of metal cations or](https://static.fdocuments.net/doc/165x107/5f0e31677e708231d43e0e28/metal-organic-framework-nanoparticle-based-metal-organic-frameworks-mofs.jpg)