Metal–Organic Framework- and Polyoxometalate-Based Sorbents for the Uptake and Destruction of Chemical Warfare Agents

Journal Article · Tue Jan 28 23:00:00 EST 2020 · ACS Applied Materials and Interfaces

DOI:https://doi.org/10.1021/acsami.9b20833· OSTI ID:1631935

Grissom, Tyler G. ^[1]; Plonka, Anna M. ^[2]; Sharp, Conor H. ^[1]; Ebrahim, Amani M. ^[2]; Tian, Yiyao ^[2]; Collins-Wildman, Daniel L. ^[3]; Kaledin, Alexey L. ^[3]; Siegal, Harrison J. ^[1]; Troya, Diego ^[1]; Hill, Craig L. ^[3]; Frenkel, Anatoly I. ^[4]; Musaev, Djamaladdin G. ^[3]; Gordon, Wesley O. ^[5]; Karwacki, Christopher J. ^[5]; Mitchell, Mark B. ^[6]; Morris, John R. ^[1]

---

1. Virginia Polytechnic Inst. and State Univ. (Virginia Tech), Blacksburg, VA (United States)
2. Stony Brook Univ., NY (United States)
3. Emory Univ., Atlanta, GA (United States)
4. Stony Brook Univ., NY (United States); Brookhaven National Lab. (BNL), Upton, NY (United States)
5. U.S. Army Combat Capabilities Development Command Chemical Biological Center, Aberdeen, MD (United States)
6. Kennesaw State Univ., Kennesaw, GA (United States)

The threat of chemical warfare agents (CWAs), assured by their ease of synthesis and effectiveness as a terrorizing weapon, will persist long after the once-tremendous stockpiles in the U.S. and elsewhere are finally destroyed. As such, soldier and civilian protection, battlefield decontamination, and environmental remediation from CWAs remain top national security priorities. New chemical approaches for the fast and complete destruction of CWAs have been an active field of research for many decades and new technologies have generated immense interest. In particular, our research team and others have shown metal-organic frameworks (MOFs) and polyoxometalates (POMs) to be active for sequestering CWAs and even catalyzing the rapid hydrolysis of agents. In this Spotlight, we highlight recent advancements made in the understanding and evaluation of POMs and Zr-based MOFs as CWA decontamination materials. Specifically, our aim is to bridge the gap between controlled, solution-phase laboratory studies and real-world or battlefield-like conditions by examining agent–material interactions at the gas–solid interface utilizing a multimodal experimental and computational approach. Herein we report our progress in addressing the following research goals: 1) elucidate molecular-level mechanisms of the adsorption, diffusion, and reaction of CWA and CWA simulants within a series of Zr-based MOFs, such as UiO-66, MOF-808 and NU-1000, and POMs, including Cs₈Nb₆O₁₉ and (Et₂NH₂)₈[(α-PW₁₁O₃₉Zr(μ-OH)(H₂O))₂]·7H₂O, 2) probe the effects that common ambient gases, such as CO₂, SO₂, and NO₂, have on the efficacy of the MOF and POM materials for CWA destruction, and 3) use CWA simulant results to develop hypotheses for live agent chemistry. Key hypotheses are then tested with targeted live agent testing. Overall, our collaborative effort has provided insight into the fundamental aspects of agent–material interactions and revealed strategies for new catalyst development.

• Research Organization: Brookhaven National Laboratory (BNL), Upton, NY (United States)
• Sponsoring Organization: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
• Grant/Contract Number: SC0012704
• OSTI ID: 1631935
• Alternate ID(s): OSTI ID: 1608861; OSTI ID: 1690004
• Report Number(s): BNL--215981-2020-JAAM
• Journal Information: ACS Applied Materials and Interfaces, Journal Name: ACS Applied Materials and Interfaces Journal Issue: 13 Vol. 12; ISSN 1944-8244
• Publisher: American Chemical Society (ACS)
• Country of Publication: United States
• Language: English

Related Subjects

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY