Projects per year
Organization profile
Organization profile
The Inorganometallic Catalyst Design Center (ICDC) is an Energy Frontier Research Center funded by the United States Department of Energy. The ICDC is devoted to computationally-guided discovery of a new class of energy-science-relevant catalytic materials and the underlying structure-function relationships that will guide further catalyst discovery. The catalysts determined in the ICDC are intended to be used for natural gas conversion from alkanes to alcohols.
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Metals
Chemical Compounds
Density functional theory
Chemical Compounds
Catalysts
Chemical Compounds
Atomic layer deposition
Chemical Compounds
Transition metals
Chemical Compounds
metals
Physics & Astronomy
Cobalt
Chemical Compounds
Oxides
Chemical Compounds
Network
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Profiles
Aditya Bhan
- College of Science & Engineering, Chemical Engineering and Materials Science - Professor
- College of Science & Engineering, Inorganometallic Catalyst Design Center
Person: Faculty, Honorary
Melanie F Burns
- College of Science & Engineering, Chemistry (Twin Cities) - Consultant/Analyst
- College of Science & Engineering, Inorganometallic Catalyst Design Center - Managing Director
Person: Honorary, Academic Administrative
Indrani Choudhuri
- College of Science & Engineering, Chemistry (Twin Cities) - Post-Doctoral Associate
- College of Science & Engineering, Inorganometallic Catalyst Design Center
- College of Science & Engineering, Nanoporous Materials Genome Center
Person: Professional-in-Training, Honorary
Projects 2014 2018
- 1 Finished
Energy Frontier Research Center For Inorganometallic Catalyst Design (DE-SC0012702)
Gagliardi, L., Cramer, C., Lu, C. C., Penn, L., Stein, A. & Truhlar, D. G.
United States Department of Energy
8/1/14 → 7/31/18
Project: Research project
Catalysts
Research Output 2014 2019
Quantum Chemical Characterization of Structural Single Fe(II) Sites in MIL-Type Metal Organic Frameworks for Oxidation of Methane to Methanol and Ethane to Ethanol
Vitillo, J. G., Bhan, A., Cramer, C. J., Lu, C. C. & Gagliardi, L., 2019, In : ACS Catalysis.Research output: Contribution to journal › Article
2
Citations
(Scopus)
Application and Limitations of Nanocasting in Metal-Organic Frameworks
Malonzo, C. D., Wang, Z., Duan, J., Zhao, W., Webber, T. E., Li, Z., Kim, I. S., Kumar, A., Bhan, A., Platero-Prats, A. E., Chapman, K. W., Farha, O. K., Hupp, J. T., Martinson, A. B. F., Penn, L. & Stein, A., Mar 5 2018, In : Inorganic Chemistry. 57, 5, p. 2782-2790 9 p.Research output: Contribution to journal › Article
Metals
Silicon Dioxide
metals
silicon dioxide
catalysis
9
Citations
(Scopus)
Beyond the Active Site: Tuning the Activity and Selectivity of a Metal-Organic Framework-Supported Ni Catalyst for Ethylene Dimerization
Liu, J., Ye, J., Li, Z., Otake, K. I., Liao, Y., Peters, A. W., Noh, H., Truhlar, D. G., Gagliardi, L., Cramer, C. J., Farha, O. K. & Hupp, J. T., Sep 12 2018, In : Journal of the American Chemical Society. 140, 36, p. 11174-11178 5 p.Research output: Contribution to journal › Article
Dimerization
Atomic layer deposition
Catalyst selectivity
Catalyst supports
Catalytic Domain