St. Paul Hotel
Downtown Saint Paul Minnesota
350 Market Street
Saint Paul, MN 55102
(651) 292-9292
Agenda
Sunday, October 4, 2015
7:30 a.m.
Registration Continental Breakfast Available
James J. Hill Foyer
8:30 a.m.
Meeting Begins Director's Welcome and Introduction
James J. Hill Foyer
Laura Gagliardi (UMN)
Theme 1 — Catalysis at NU-1000 (Chair: Chris Cramer)
9:00 a.m.
Presentation 1
Tuning Zr6 MOF Nodes as Catalyst Supports: Site Densities and Electron-Donor Properties Influence Molecular Iridium Complexes as Ethylene Conversion Catalysts
Coauthors: Dong Yang (UC Davis) and Samuel Odoh (UMN), Joshua Borycz (UMN), Timothy C. Wang (NW), Omar K. Farha (NW), Joseph T. Hupp (NW), Christopher J. Cramer (UMN), Laura Gagliardi (UMN), Bruce C. Gates (UC Davis)
9:30 a.m.
Presentation 2
Single-site Nickel Hydrogenation Catalyst Supported on a Metal-Organic Framework Produced via Atomic Layer Deposition
Coauthors: Zhanyong Li (NW), Aaron B. League (UMN), and Varinia Bernales (UMN), Omar K. Farha (NW), Joseph T. Hupp (NW), Christopher J. Cramer (UMN), and Laura Gagliardi (UMN)
9:50 a.m.
Presentation 3
Comparison of the Catalytic Activity of Co- and Ni-AIM Single Site-Catalyst on Ethylene Oligomerization
Coauthors: Varinia Bernales (UMN), Rebecca K. Carlson (UMN), Aaron B. League (UMN), Zhanyong Li (NW), Omar K. Farha (NW), Joseph T. Hupp (NW), Christopher J. Cramer (UMN), and Laura Gagliardi (UMN)
10:10 a.m.
Presentation 4
Deposition of Cu on NU-1000 and Potential Activity for Methane to Methanol Catalysis
Coauthors: Zhanyong Li (NW), Manuel A. Ortuño (UMN), Dale R. Pahls (UMN), Aleksei Vjunov (PNNL), Johannes A. Lercher (PNNL), Laura Gagliardi (UMN), Christopher J. Cramer (UMN), Omar K. Farha (NW), and Joseph T. Hupp (NW)
10:40 a.m.
Break
11:00 a.m.
Presentation 5
Heterobimetallic Active Sites in Metal-Organic Frameworks
Coauthors: Anthony B. Thompson (UMN), Camille D. Malonzo (UMN), Thomas Webber (UMN), Dale Pahls (UMN), Rebecca K. Carlson (UMN), Stephen J. Tereniak (UMN), Timothy Wang (NW), Omar K. Farha (NW), Joseph T. Hupp (NW), R. Lee Penn (UMN), Andreas Stein (UMN), Laura Gagliardi (UMN), and Connie C. Lu (UMN)
11:20 a.m.
Presentation 6
New density functional development for catalysis and O2 activation on NU-1000 decorated with Fe
Coauthors: Haoyu S. Yu (UMN), Xiao He (UMN), Wei-Guang Liu (UMN), Martino Rimoldi (NW), Omar Farha (NW), Joseph Hupp (NW), and Donald Truhlar (UMN)
Theme 2 — Alternative Supports (Chair: Connie Lu)
11:40 a.m.
Presentation 7
Using metal-based cluster catalysts supported on PCN-222 to predict the selective oxidation of ethane to ethanol with density functional theory
Coauthors: Steven Pellizzeri (Clemson), Charles T. Campbell (UWA), and Rachel Getman (Clemson)
12:00 p.m.
Presentation 8
Structure and Catalytic Activity of Single Nickel Sites in Nanoporous Porphyrinic Materials
Coauthors: Pere Miró (NW), Peilin Liao (NW), Melissa Barona (NW), and Randall Q. Snurr (NW), Jason R. Avila (NW), Zhanyong Li (NW), Omar K. Farha (NW), and Joseph T. Hupp (NW)
12:20 p.m.
Lunch
Summit Room
Theme 3 — Nanocasting and Film Formation (Chair: Randy Snurr)
1:40 p.m.
Presentation 9
Stabilization of MOF-Derived Catalytic Clusters Through Nanocasting Approaches
Coauthors: Pere Miró (NW), Peilin Liao (NW), Melissa Barona (NW), and Randall Q. Snurr (NW), Jason R. Avila (NW), Zhanyong Li (NW), Omar K. Farha (NW), and Joseph T. Hupp (NW)
2:00 p.m.
Presentation 10
Microwave Synthesis and Thin Film Deposition of Metal- Organic Framework Materials
Coauthors: Thomas Webber (UMN), Camille Malonzo (UMN), Anthony Thompson (UMN), Jason Myers (UMN), Connie Lu (UMN), Andreas Stein (UMN), and R. Lee Penn (UMN)
Theme 4 — Understanding ALD in MOFs (Chair: Bruce Gates)
2:20 p.m.
Presentation 11
Structure transitions of the Zr6(O)8 clusters in NU-1000 and related MOFs
Coauthors: Ana E. Platero-Prats (ANL), Leighanne C. Gallington (ANL), Andreas Mavrantonakis (UMN), Yangyang Liu (NW), Joseph T. Hupp
(NW), Omar K. Farha (NW), Christopher J. Cramer(UMN), and Karena W. Chapman (ANL)
Coauthors: In Soo Kim (NW), Joshua Borycz (UMN), Ana E. Platero-Prats (ANL), Samat Tussupbayev (UMN), Timothy C. Wang (NW), Omar K. Farha (NW), Joseph T. Hupp (NW), Laura Gagliardi (UMN), Karena W. Chapman (ANL), Christopher J. Cramer (UMN), and Alex B. F. Martinson (ANL)
3:00 p.m.
Presentation 13
Using Atomic Layer Deposition (ALD) for Zinc Precursors in Zirconium Metal-Organic Frameworks (MOFs)
Coauthors: Laura E. Fernandez (UMN), Timothy C. Wang (NW), Rachel C. Klet (NW), Donald G. Truhlar (UMN), Omar K. Farha (NW), and Joseph T. Hupp (NW)
3:20 p.m.
Break
Theme 5 — Gas Adsoprtion (Chair: Don Truhlar)
3:40 p.m.
Presentation 14
Experimental Measurements of Gas Adsorption Energies onto the MOF NU-1000, and Reaction Energies during ALD, with Comparisons to Calculated Energies to Validate Theoretical Approaches
Coauthors: James M. Lownsbury (UWA), Ivan A. Santos-Lopez (UWA), Wei Zhang (UWA), Charles T. Campbell (UWA), Timothy Wang (NW), Joseph T. Hupp (NW), Omar K. Farha (NW), Haoyu Yu (UMN), Wei-Guang Liu (UMN), Christopher J. Cramer (UMN), Donald G. Truhlar (UMN), Oscar E. Vilches (UWA - Physics), Alex B. F. Martinson (ANL), and In-Soo Kim (ANL)
4:00 p.m.
Break
4:00 p.m.
Poster Setup
Promenade Ballroom North
Junior Investigators
4:30 – 6:30 p.m.
Discussions and Initial Feedback from Scientific Advisory Board
James J. Hill Room
Moderators: Omar Farha (NW), Rachel Getman (Clemson) and Connie Lu (UMN)
6:00 p.m.
Dinner
Promenade Ballroom South
7:00 p.m.
Guest Speaker
Promenade Ballroom South
Sharon Hammes-Schiffer (University of Illinois at Urbana-Champaign), member of the Scientific Advisory Board
7:30 – 9:30 p.m.
Poster Session and Dessert
Promenade Ballroom North
Poster session judging by members of the Scientific Advisory Board
9:30 p.m.
Poster Removal
Promenade Ballroom North
All posters must be out of the Ballroom immediately following the end of the poster session
9:30 p.m.
Meeting Day 1 Ends
Monday, October 5, 2015
7:30 a.m.
Registration Continental Breakfast Available
James J. Hill Foyer
8:30 a.m.
Meeting Begins Summary of Day One and Preparation for the 2016 Midterm Review
James J. Hill Foyer
Joe Hupp (NW)
Discussion
9:00 a.m.
Catalysis at NU-1000
Moderators: Karena Chapman (ANL) and Omar Farha (NW)
9:30 a.m.
Other Supports and Nanocasting
Moderators: Alex Martinson (ANL) and Andreas Stein (UMN)
10:00 a.m.
Break
10:15 a.m.
Discussion and Feedback from Scientific Advisory Board
Poster session prizes announcement
11:15 a.m.
Break
11:30 a.m.
Working Lunch — Discussions for future collaborative projects
