• 28298 Citations
1991 …2020

Research output per year

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Personal profile

Research Interests

Professor Snurr’s research group focuses on adsorption, diffusion, and catalysis in nanoporous materials. They are interested in novel materials such as metal-organic frameworks (MOFs), as well as traditional materials such as zeolites that are already widely used in industry. Porous materials with well-controlled structures at the nanoscale can be extremely useful because of their ability to recognize and discriminate between adsorbed molecules. This leads to applications of nanoporous materials in adsorption separations, catalysis, membrane processes, sensing, and energy storage.

Most of the projects in his group are aimed at solving problems related to energy and sustainability.  Examples include development of materials to store hydrogen for fuel cell vehicles, development of materials for capturing carbon dioxide from power plant flue gas (carbon capture and sequestration), development of energy-efficient separations, and development of highly selective catalysts for green chemistry processes.

To address these problems, they use powerful molecular modeling techniques. Their goal is to develop a better understanding of surface interactions and dynamics in nanoporous materials and to exploit this molecular-level information to develop new, highly-selective processes in adsorption separations, catalysis, and energy storage. Another goal of their research is to develop new simulation methods that can handle an ever-broader range of time and length scales to address important problems that cannot be simulated with current techniques. They also collaborate closely with experimental research groups.

Education/Academic qualification

Chemical Engineering, PhD, University of California, Berkeley

… → 1994

Chemical Engineering, BSE, University of Pennsylvania

… → 1988

Research interests

  • Absorption
  • Catalysis
  • Energy
  • Molecular modeling
  • Separations
  • Sustainability

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  • Research Output

    Open Access
  • Computational Predictions and Experimental Validation of Alkane Oxidative Dehydrogenation by Fe2M MOF Nodes

    Barona, M., Ahn, S., Morris, W., Hoover, W., Notestein, J. M., Farha, O. K. & Snurr, R. Q., Jan 17 2020, In : ACS Catalysis. 10, 2, p. 1460-1469 10 p.

    Research output: Contribution to journalArticle

  • 4 Scopus citations

    Computational Screening of Metal-Organic Framework-Supported Single-Atom Transition-Metal Catalysts for the Gas-Phase Hydrolysis of Nerve Agents

    Mendonca, M. L. & Snurr, R. Q., Jan 17 2020, In : ACS Catalysis. 10, 2, p. 1310-1323 14 p.

    Research output: Contribution to journalArticle

  • 1 Scopus citations

    DFT Study on the Catalytic Activity of ALD-Grown Diiron Oxide Nanoclusters for Partial Oxidation of Methane to Methanol

    Barona, M., Gaggioli, C. A., Gagliardi, L. & Snurr, R. Q., Feb 27 2020, In : Journal of Physical Chemistry A. 124, 8, p. 1580-1592 13 p.

    Research output: Contribution to journalArticle

  • Exploring the Tunability of Trimetallic MOF Nodes for Partial Oxidation of Methane to Methanol

    Barona, M. & Snurr, R. Q., Jun 24 2020, In : ACS Applied Materials and Interfaces. 12, 25, p. 28217-28231 15 p.

    Research output: Contribution to journalArticle