Probing the mechanism of CO 2 capture in diamine-appended metal–organic frameworks using measured and simulated X-ray spectroscopy

Drisdell, Walter S.; Poloni, Roberta; McDonald, Thomas M.; Pascal, Tod A.; Wan, Liwen F.; Pemmaraju, C. Das; Vlaisavljevich, Bess; Odoh, Samuel O.; Neaton, Jeffrey B.; Long, Jeffrey R.; Prendergast, David; Kortright, Jeffrey B.

doi:10.1039/c5cp02951a

Title: Probing the mechanism of CO ₂ capture in diamine-appended metal–organic frameworks using measured and simulated X-ray spectroscopy

Journal Article · Thu Jan 01 00:00:00 EST 2015 · Physical Chemistry Chemical Physics. PCCP

DOI:https://doi.org/10.1039/c5cp02951a· OSTI ID:1370652

Drisdell, Walter S. ^[1]; Poloni, Roberta ^[2]; McDonald, Thomas M. ^[3]; Pascal, Tod A. ^[4]; Wan, Liwen F. ^[4]; Pemmaraju, C. Das ^[4]; Vlaisavljevich, Bess ^[5]; Odoh, Samuel O. ^[6]; Neaton, Jeffrey B. ^[4]; Long, Jeffrey R. ^[7]; Prendergast, David ^[4]; Kortright, Jeffrey B. ^[1]

Materials Sciences Division; Lawrence Berkeley National Laboratory; Berkeley, USA
Université Grenoble Alpes; Science et Ingénierie des Matériaux et Procédés (SIMAP); F-38000 Grenoble, France
Department of Chemistry; University of California; Berkeley, USA
Molecular Foundry; Lawrence Berkeley National Laboratory; Berkeley, USA
Department of Chemical and Biological Engineering; University of California; Berkeley, USA
Department of Chemistry; Chemical Theory Center and Supercomputing Institute; University of Minnesota; Minneapolis, USA
Materials Sciences Division; Lawrence Berkeley National Laboratory; Berkeley, USA; Department of Chemistry; University of California

In situX-ray absorption spectroscopy, coupled with DFT calculations, uncovers the details of the novel mechanism for CO₂adsorption in diamine-appended metal–organic frameworks.

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Research Organization:: Energy Frontier Research Centers (EFRC) (United States). Center for Gas Separations Relevant to Clean Energy Technologies (CGS)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

DOE Contract Number:: SC0001015

OSTI ID:: 1370652

Journal Information:: Physical Chemistry Chemical Physics. PCCP, Vol. 17, Issue 33; Related Information: CGS partners with University of California, Berkeley; University of California, Davis; Lawrence Berkeley National Laboratory; University of Minnesota; National Energy Technology Laboratory; Texas A&M University; ISSN 1463-9076

Publisher:: Royal Society of Chemistry

Country of Publication:: United States

Language:: English

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Engineered Transport in Microporous Materials and Membranes for Clean Energy Technologies Li, Changyi; Meckler, Stephen M.; Smith, Zachary P. Advanced Materials, Vol. 30, Issue 8 https://doi.org/10.1002/adma.201704953	journal	January 2018
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