Publications

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JACS: In Situ Probes of Capture and Decomposition of Chemical Warfare Agent Simulants by Metal Organic Frameworks

We report a detailed study of the decomposition of a nerve-agent simulant on metal-organic frameworks (MOFs) using advanced synchrotron-based methods. J. Am. Chem. Soc. 2017, 139, 599−602

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J. Phys. Chem. C: Nerve-Agent Decomposition within Zr-Based Metal Organic Frameworks

The decomposition of Sarin has been elucidated on Zr-based UiO-66 and MOF-808 metal organic frameworks (MOFs) using electronic structure calculations. J. Phys. Chem. C 2016, 120, 29312−29323

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Scientific Reports: Atomic-Level Structural Dynamics of Polyoxoniobates during DMMP Decomposition

Ambient pressure in situ synchrotron-based spectroscopic techniques have been correlated to illuminate atomic-level details of bond breaking and formation during the hydrolysis of a CWA simulant over a polyoxometalate catalyst. Scientific Reports | 7: 773

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J. Phys. Chem. C: Alkane−OH Hydrogen Bond Formation and Diffusion Energetics of n‑Butane within UiO-66

Hydrocarbon diffusion and binding within porous molecular networks are critical to catalysis, separations, and purification technologies. Fundamental insight into butane uptake and mobility within MOFs, has been gained through in situ infrared spectroscopy. J. Phys. Chem. C 2017.

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MultiRAD Team

We are a multidisciplinary group of scientists from around the country focused on building new catalysts for the decomposition of toxic compounds.

Our Mission

Develop a detailed understanding of interfacial reaction mechanisms at next-generation catalysts that guides the discovery of new materials for soldier and civilian protection.

MultiRAD Members

Anatoly I. Frenkel

Anatoly I. Frenkel

Professor, Materials Science and Chemical Engineering, Stony Brook University

We develop and apply new experimental methodologies that rely on the use of combined techniques in operando, i.e., during a process in which a nanoscale catalyst does useful work. Group Website

Wesley O. Gordon

Wesley O. Gordon

Scientist, CB Protection and decontamination division, Edgewood Chemical Biological Center

Dr. Gordon applies his expertise in surface science and catalysis to study the surface chemistry of chemical warfare agents on existing and emerging military relevant materials for protection and filtration applications. These studies range from fundamental gas-surface studies to real-world battlefield conditions.

Craig L. Hill

Craig L. Hill

The Hill group designs, prepares and investigates complex large molecules, including polyoxometalates (POMs), and nanomaterials with specific structural, electronic and/or dynamic features that define them to be of potential value in catalysis, sensing, medicine anChemistry Professor, Emory Universityd nanoscience.

The Hill group designs, prepares and investigates complex large molecules, including polyoxometalates (POMs), and nanomaterials with specific structural, electronic and/or dynamic features that define them to be of potential value in catalysis, sensing, medicine and nanoscience. Group Website

Christopher J. Karwacki

Christopher J. Karwacki

Senior Scientist, CB Protection and Decontamination Divisiton, Edgewood Chemical Biological Center

Mark Mitchell

Mark Mitchell

Chemistry Professor, Kennesaw State Univeristy

Our group has been developing methods to examine the reactions between reactive solid materials and gas-phase species for a the development of reactive adsorbents and catalysts. Our current research interests involve the development of new active materials for the decomposition of chemical warfare agents and pesticides. Group Website

John R. Morris

John R. Morris

Chemistry Professor, Virginia Tech

The Morris Group's research focuses on building a fundamental understanding of gas-surface reaction dynamics for energy, environmental, and national defense applications. Group Website

Djamaladdin (Jamal) G. Musaev

Djamaladdin (Jamal) G. Musaev

Director, Cherry L. Emerson Center for Computational Science, Emory University

Prof. Musaev is a founding member of the CCI-NSF Center for Selective C-H functionalization, and Emory’s Bioinspired Renewable Energy Center. His work focuses on new computational techniques and applying them to elucidate catalytic reaction mechanisms. Group Website

Diego Troya

Diego Troya

Chemistry Professor, Virginia Tech

Dr. Troya's group employs advanced theoretical methods to explore the atomic-scale details of molecular reactions that find applications in catalysis, environmental chemistry, and materials science.

Sanjaya D. Senanayake

Sanjaya D. Senanayake

Brookhaven National Laboratory

Dr. Senanayake is a PI in the Catalysis: Reactivity and Structure (CRS) Group at BNL where he leads experimental investigations in surface science and heterogeneous catalysis enabled by the use of advanced experimental methods (imaging, spectroscopy and scattering) based on X-rays and electrons to elucidate active catalytic chemistry.