CO 2 induced phase transitions in diamine-appended metal–organic frameworks

Vlaisavljevich, Bess; Odoh, Samuel O.; Schnell, Sondre K.; Dzubak, Allison L.; Lee, Kyuho; Planas, Nora; Neaton, Jeffrey B.; Gagliardi, Laura; Smit, Berend

doi:10.1039/C5SC01828E

Title: CO ₂ induced phase transitions in diamine-appended metal–organic frameworks

Journal Article · Thu Jan 01 00:00:00 EST 2015 · Chemical Science

DOI:https://doi.org/10.1039/C5SC01828E· OSTI ID:1371281

Vlaisavljevich, Bess ^[1]; Odoh, Samuel O. ^[2]; Schnell, Sondre K. ^[3]; Dzubak, Allison L. ^[2]; Lee, Kyuho ^[4]; Planas, Nora ^[2]; Neaton, Jeffrey B. ^[4]; Gagliardi, Laura ^[2];

^[5]

Department of Chemical and Biomolecular Engineering; University of California; Berkeley, USA
Department of Chemistry; Chemical Theory Center and Supercomputing Institute; University of Minnesota; Minneapolis, USA
Department of Chemical and Biomolecular Engineering; University of California; Berkeley, USA; Department of Chemistry; Norwegian University of Science and Technology
Molecular Foundry; Lawrence Berkeley National Laboratory; Berkeley, USA; Department of Physics; University of California
Department of Chemical and Biomolecular Engineering; University of California; Berkeley, USA; Molecular Foundry; Lawrence Berkeley National Laboratory

Using a combination of density functional theory and lattice models, we study the effect of CO₂adsorption in an amine functionalized metal–organic framework.

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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), Advanced Scientific Computing Research (ASCR); USDOE Office of Science (SC), Basic Energy Sciences (BES)

DOE Contract Number:: SC0001015

OSTI ID:: 1371281

Journal Information:: Chemical Science, Vol. 6, Issue 9; 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 2041-6520

Publisher:: Royal Society of Chemistry

Country of Publication:: United States

Language:: English

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Cooperative Carbon Dioxide Adsorption in Alcoholamine‐ and Alkoxyalkylamine‐Functionalized Metal–Organic Frameworks Mao, Victor Y.; Milner, Phillip J.; Lee, Jung‐Hoon Angewandte Chemie, Vol. 132, Issue 44 https://doi.org/10.1002/ange.201915561	journal	February 2020
Cooperative Carbon Dioxide Adsorption in Alcoholamine‐ and Alkoxyalkylamine‐Functionalized Metal–Organic Frameworks Mao, Victor Y.; Milner, Phillip J.; Lee, Jung‐Hoon Angewandte Chemie International Edition, Vol. 59, Issue 44 https://doi.org/10.1002/anie.201915561	journal	February 2020
Tuning carbon dioxide capture capability with structural and compositional design in mmen-(Mg,Zn) (dobpdc) metal-organic framework: density functional theory investigation: Original Research Article: Tuning carbon dioxide capture capability with structural and compositional design Pramchu, Sittichain; Jaroenjittichai, Atchara P.; Laosiritaworn, Yongyut Greenhouse Gases: Science and Technology, Vol. 8, Issue 3 https://doi.org/10.1002/ghg.1768	journal	March 2018
A high-performance “sweeper” for toxic cationic herbicides: an anionic metal–organic framework with a tetrapodal cage Jia, Yan-Yuan; Zhang, Ying-Hui; Xu, Jian Chemical Communications, Vol. 51, Issue 98 https://doi.org/10.1039/c5cc07249b	journal	January 2015
Carbon Capture and Storage: introductory lecture Smit, Berend Faraday Discussions, Vol. 192 https://doi.org/10.1039/c6fd00148c	journal	January 2016
Enhancement of CO ₂ binding and mechanical properties upon diamine functionalization of M ₂ (dobpdc) metal–organic frameworks Lee, Jung-Hoon; Siegelman, Rebecca L.; Maserati, Lorenzo Chemical Science, Vol. 9, Issue 23 https://doi.org/10.1039/c7sc05217k	journal	January 2018

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