Elucidating CO2 Chemisorption in Diamine-Appended Metal–Organic Frameworks
Abstract
The widespread deployment of carbon capture and sequestration as a climate change mitigation strategy could be facilitated by the development of more energy-efficient adsorbents. Diamine-appended metal-organic frameworks of the type diamine-M2(dobpdc) (M = Mg, Mn, Fe, Co, Ni, Zn; dobpdc4- = 4,4'-dioxidobiphenyl-3,3'-dicarboxylate) have shown promise for carbon-capture applications, although questions remain regarding the molecular mechanisms of CO2 uptake in these materials. Here we leverage the crystallinity and tunability of this class of frameworks to perform a comprehensive study of CO2 chemisorption. Using multinuclear nuclear magnetic resonance (NMR) spectroscopy experiments and van-der-Waals-corrected density functional theory (DFT) calculations for 13 diamine-M2(dobpdc) variants, we demonstrate that the canonical CO2 chemisorption products, ammonium carbamate chains and carbamic acid pairs, can be readily distinguished and that ammonium carbamate chain formation dominates for diamine-Mg2(dobpdc) materials. In addition, we elucidate a new chemisorption mechanism in the material dmpn-Mg2 (dobpdc) (dmpn = 2,2-dimethyl-1,3-diaminopropane), which involves the formation of a 1:1 mixture of ammonium carbamate and carbamic acid and accounts for the unusual adsorption properties of this material. Finally, we show that the presence of water plays an important role in directing the mechanisms for CO2 uptake in diamine-M2 (dobpdc) materials. Overall, our combined NMR and DFT approach enablesmore »
- Authors:
-
[1];
[2];
[2]
- Univ. of California, Berkeley, CA (United States)
- Univ. of California, Berkeley, CA (United States); Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
- Univ. of California, Berkeley, CA (United States). Kavli Energy Nanosciences Inst.; Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
- Publication Date:
- Research Org.:
- Energy Frontier Research Centers (EFRC) (United States). Center for Gas Separations Relevant to Clean Energy Technologies (CGS); Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- OSTI Identifier:
- 1542346
- Grant/Contract Number:
- AC02-05CH11231
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Journal of the American Chemical Society
- Additional Journal Information:
- Journal Volume: 140; Journal Issue: 51; Journal ID: ISSN 0002-7863
- Publisher:
- American Chemical Society (ACS)
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
Citation Formats
Forse, Alexander C., Milner, Phillip J., Lee, Jung-Hoon, Redfearn, Halle N., Oktawiec, Julia, Siegelman, Rebecca L., Martell, Jeffrey D., Dinakar, Bhavish, Porter-Zasada, Leo B., Gonzalez, Miguel I., Neaton, Jeffrey B., Long, Jeffrey R., and Reimer, Jeffrey A. Elucidating CO2 Chemisorption in Diamine-Appended Metal–Organic Frameworks. United States: N. p., 2018.
Web. doi:10.1021/jacs.8b10203.
Forse, Alexander C., Milner, Phillip J., Lee, Jung-Hoon, Redfearn, Halle N., Oktawiec, Julia, Siegelman, Rebecca L., Martell, Jeffrey D., Dinakar, Bhavish, Porter-Zasada, Leo B., Gonzalez, Miguel I., Neaton, Jeffrey B., Long, Jeffrey R., & Reimer, Jeffrey A. Elucidating CO2 Chemisorption in Diamine-Appended Metal–Organic Frameworks. United States. https://doi.org/10.1021/jacs.8b10203
Forse, Alexander C., Milner, Phillip J., Lee, Jung-Hoon, Redfearn, Halle N., Oktawiec, Julia, Siegelman, Rebecca L., Martell, Jeffrey D., Dinakar, Bhavish, Porter-Zasada, Leo B., Gonzalez, Miguel I., Neaton, Jeffrey B., Long, Jeffrey R., and Reimer, Jeffrey A. Sun .
"Elucidating CO2 Chemisorption in Diamine-Appended Metal–Organic Frameworks". United States. https://doi.org/10.1021/jacs.8b10203. https://www.osti.gov/servlets/purl/1542346.
@article{osti_1542346,
title = {Elucidating CO2 Chemisorption in Diamine-Appended Metal–Organic Frameworks},
author = {Forse, Alexander C. and Milner, Phillip J. and Lee, Jung-Hoon and Redfearn, Halle N. and Oktawiec, Julia and Siegelman, Rebecca L. and Martell, Jeffrey D. and Dinakar, Bhavish and Porter-Zasada, Leo B. and Gonzalez, Miguel I. and Neaton, Jeffrey B. and Long, Jeffrey R. and Reimer, Jeffrey A.},
abstractNote = {The widespread deployment of carbon capture and sequestration as a climate change mitigation strategy could be facilitated by the development of more energy-efficient adsorbents. Diamine-appended metal-organic frameworks of the type diamine-M2(dobpdc) (M = Mg, Mn, Fe, Co, Ni, Zn; dobpdc4- = 4,4'-dioxidobiphenyl-3,3'-dicarboxylate) have shown promise for carbon-capture applications, although questions remain regarding the molecular mechanisms of CO2 uptake in these materials. Here we leverage the crystallinity and tunability of this class of frameworks to perform a comprehensive study of CO2 chemisorption. Using multinuclear nuclear magnetic resonance (NMR) spectroscopy experiments and van-der-Waals-corrected density functional theory (DFT) calculations for 13 diamine-M2(dobpdc) variants, we demonstrate that the canonical CO2 chemisorption products, ammonium carbamate chains and carbamic acid pairs, can be readily distinguished and that ammonium carbamate chain formation dominates for diamine-Mg2(dobpdc) materials. In addition, we elucidate a new chemisorption mechanism in the material dmpn-Mg2 (dobpdc) (dmpn = 2,2-dimethyl-1,3-diaminopropane), which involves the formation of a 1:1 mixture of ammonium carbamate and carbamic acid and accounts for the unusual adsorption properties of this material. Finally, we show that the presence of water plays an important role in directing the mechanisms for CO2 uptake in diamine-M2 (dobpdc) materials. Overall, our combined NMR and DFT approach enables a thorough depiction and understanding of CO2 adsorption within diamine-M2(dobpdc) compounds, which may aid similar studies in other amine-functionalized adsorbents in the future.},
doi = {10.1021/jacs.8b10203},
journal = {Journal of the American Chemical Society},
number = 51,
volume = 140,
place = {United States},
year = {Sun Dec 02 00:00:00 EST 2018},
month = {Sun Dec 02 00:00:00 EST 2018}
}
Free Publicly Available Full Text
Publisher's Version of Record
Other availability
Search WorldCat to find libraries that may hold this journal
Cited by: 64 works
Citation information provided by
Web of Science
Web of Science
Save to My Library
You must Sign In or Create an Account in order to save documents to your library.
Works referenced in this record:
Adsorbent Materials for Carbon Dioxide Capture from Large Anthropogenic Point Sources
journal, September 2009
- Choi, Sunho; Drese, Jeffrey H.; Jones, Christopher W.
- ChemSusChem, Vol. 2, Issue 9, p. 796-854
Capture of Carbon Dioxide from Air and Flue Gas in the Alkylamine-Appended Metal–Organic Framework mmen-Mg2(dobpdc)
journal, April 2012
- McDonald, Thomas M.; Lee, Woo Ram; Mason, Jarad A.
- Journal of the American Chemical Society, Vol. 134, Issue 16, p. 7056-7065
Cooperative insertion of CO2 in diamine-appended metal-organic frameworks
journal, March 2015
- McDonald, Thomas M.; Mason, Jarad A.; Kong, Xueqian
- Nature, Vol. 519, Issue 7543
Enhanced carbon dioxide capture upon incorporation of N,N′-dimethylethylenediamine in the metal–organic framework CuBTTri
journal, January 2011
- McDonald, Thomas M.; D'Alessandro, Deanna M.; Krishna, Rajamani
- Chemical Science, Vol. 2, Issue 10, p. 2022-2028
Amine-functionalized metal–organic frameworks: structure, synthesis and applications
journal, January 2016
- Lin, Yichao; Kong, Chunlong; Chen, Liang
- RSC Advances, Vol. 6, Issue 39
Tuning the target composition of amine-grafted CPO-27-Mg for capture of CO 2 under post-combustion and air filtering conditions: a combined experimental and computational study
journal, January 2015
- Bernini, M. C.; García Blanco, A. A.; Villarroel-Rocha, J.
- Dalton Transactions, Vol. 44, Issue 43
Homodiamine-functionalized metal–organic frameworks with a MOF-74-type extended structure for superior selectivity of CO 2 over N 2
journal, January 2015
- Yeon, Je Seon; Lee, Woo Ram; Kim, Nam Woo
- Journal of Materials Chemistry A, Vol. 3, Issue 37
Alkylamine-Tethered Stable Metal-Organic Framework for CO 2 Capture from Flue Gas
journal, January 2014
- Hu, Yingli; Verdegaal, Wolfgang M.; Yu, Shu-Hong
- ChemSusChem, Vol. 7, Issue 3
Strong CO2 Binding in a Water-Stable, Triazolate-Bridged Metal−Organic Framework Functionalized with Ethylenediamine
journal, July 2009
- Demessence, Aude; D’Alessandro, Deanna M.; Foo, Maw Lin
- Journal of the American Chemical Society, Vol. 131, Issue 25, p. 8784-8786
Modification of the Mg/DOBDC MOF with Amines to Enhance CO 2 Adsorption from Ultradilute Gases
journal, April 2012
- Choi, Sunho; Watanabe, Taku; Bae, Tae-Hyun
- The Journal of Physical Chemistry Letters, Vol. 3, Issue 9
Metal–Organic Frameworks with Precisely Designed Interior for Carbon Dioxide Capture in the Presence of Water
journal, June 2014
- Fracaroli, Alejandro M.; Furukawa, Hiroyasu; Suzuki, Mitsuharu
- Journal of the American Chemical Society, Vol. 136, Issue 25, p. 8863-8866
Controlling Cooperative CO 2 Adsorption in Diamine-Appended Mg 2 (dobpdc) Metal–Organic Frameworks
journal, July 2017
- Siegelman, Rebecca L.; McDonald, Thomas M.; Gonzalez, Miguel I.
- Journal of the American Chemical Society, Vol. 139, Issue 30
A Diaminopropane-Appended Metal–Organic Framework Enabling Efficient CO 2 Capture from Coal Flue Gas via a Mixed Adsorption Mechanism
journal, September 2017
- Milner, Phillip J.; Siegelman, Rebecca L.; Forse, Alexander C.
- Journal of the American Chemical Society, Vol. 139, Issue 38
Overcoming double-step CO 2 adsorption and minimizing water co-adsorption in bulky diamine-appended variants of Mg 2 (dobpdc)
journal, January 2018
- Milner, Phillip J.; Martell, Jeffrey D.; Siegelman, Rebecca L.
- Chemical Science, Vol. 9, Issue 1
Exceptional CO 2 working capacity in a heterodiamine-grafted metal–organic framework
journal, January 2015
- Lee, Woo Ram; Jo, Hyuna; Yang, Li-Ming
- Chemical Science, Vol. 6, Issue 7
Fine-Tuning of the Carbon Dioxide Capture Capability of Diamine-Grafted Metal-Organic Framework Adsorbents Through Amine Functionalization
journal, December 2016
- Jo, Hyuna; Lee, Woo Ram; Kim, Nam Woo
- ChemSusChem, Vol. 10, Issue 3
Enantioselective Recognition of Ammonium Carbamates in a Chiral Metal–Organic Framework
journal, October 2017
- Martell, Jeffrey D.; Porter-Zasada, Leo B.; Forse, Alexander C.
- Journal of the American Chemical Society, Vol. 139, Issue 44
CO 2 induced phase transitions in diamine-appended metal–organic frameworks
journal, January 2015
- Vlaisavljevich, Bess; Odoh, Samuel O.; Schnell, Sondre K.
- Chemical Science, Vol. 6, Issue 9
On the potential of phase-change adsorbents for CO 2 capture by temperature swing adsorption
journal, January 2016
- Hefti, Max; Joss, Lisa; Bjelobrk, Zoran
- Faraday Discussions, Vol. 192
On the Potential of Phase-change Adsorbents for CO2 Capture by Temperature Swing Adsorption
journal, July 2017
- Joss, Lisa; Hefti, Max; Bjelobrk, Zoran
- Energy Procedia, Vol. 114
Systems Design and Economic Analysis of Direct Air Capture of CO 2 through Temperature Vacuum Swing Adsorption Using MIL-101(Cr)-PEI-800 and mmen-Mg 2 (dobpdc) MOF Adsorbents
journal, January 2017
- Sinha, Anshuman; Darunte, Lalit A.; Jones, Christopher W.
- Industrial & Engineering Chemistry Research, Vol. 56, Issue 3
Enhancement of CO 2 binding and mechanical properties upon diamine functionalization of M 2 (dobpdc) metal–organic frameworks
journal, January 2018
- Lee, Jung-Hoon; Siegelman, Rebecca L.; Maserati, Lorenzo
- Chemical Science, Vol. 9, Issue 23
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
journal, March 2018
- Pramchu, Sittichain; Jaroenjittichai, Atchara P.; Laosiritaworn, Yongyut
- Greenhouse Gases: Science and Technology, Vol. 8, Issue 3
Unexpected Diffusion Anisotropy of Carbon Dioxide in the Metal–Organic Framework Zn 2 (dobpdc)
journal, January 2018
- Forse, Alexander C.; Gonzalez, Miguel I.; Siegelman, Rebecca L.
- Journal of the American Chemical Society, Vol. 140, Issue 5
The Mechanism of Carbon Dioxide Adsorption in an Alkylamine-Functionalized Metal–Organic Framework
journal, April 2013
- Planas, Nora; Dzubak, Allison L.; Poloni, Roberta
- Journal of the American Chemical Society, Vol. 135, Issue 20, p. 7402-7405
Polyethyleneimine and macrocyclic polyamine silica gels acting as carbon dioxide absorbents
journal, January 1992
- Tsuda, Tetsuo; Fujiwara, Tsuyoshi
- Journal of the Chemical Society, Chemical Communications, Issue 22
Novel Polyethylenimine-Modified Mesoporous Molecular Sieve of MCM-41 Type as High-Capacity Adsorbent for CO2 Capture
journal, November 2002
- Xu, Xiaochun; Song, Chunshan; Andresen, John M.
- Energy & Fuels, Vol. 16, Issue 6, p. 1463-1469
Designing Adsorbents for CO 2 Capture from Flue Gas-Hyperbranched Aminosilicas Capable of Capturing CO 2 Reversibly
journal, March 2008
- Hicks, Jason C.; Drese, Jeffrey H.; Fauth, Daniel J.
- Journal of the American Chemical Society, Vol. 130, Issue 10
Role of Amine Structure on Carbon Dioxide Adsorption from Ultradilute Gas Streams such as Ambient Air
journal, July 2012
- Didas, Stephanie A.; Kulkarni, Ambarish R.; Sholl, David S.
- ChemSusChem, Vol. 5, Issue 10, p. 2058-2064
Perfluorotributylamine as a probe molecule for distinguishing internal and external acidic sites in zeolites by high-resolution 1H MAS NMR spectroscopy
journal, January 1999
- Zhang, Weiping; Ma, Ding; Liu, Xianchun
- Chemical Communications, Issue 12
Structure of Chemisorbed CO 2 Species in Amine-Functionalized Mesoporous Silicas Studied by Solid-State NMR and Computer Modeling
journal, December 2016
- Mafra, Luís; Čendak, Tomaž; Schneider, Sarah
- Journal of the American Chemical Society, Vol. 139, Issue 1
Diamine-Functionalization of a Metal-Organic Framework Adsorbent for Superb Carbon Dioxide Adsorption and Desorption Properties
journal, April 2018
- Lee, Woo Ram; Kim, Jeong Eun; Lee, Sung Jin
- ChemSusChem, Vol. 11, Issue 10
NMR Spectroscopy Reveals Adsorbate Binding Sites in the Metal–Organic Framework UiO-66(Zr)
journal, March 2018
- Nandy, Aditya; Forse, Alexander C.; Witherspoon, Velencia J.
- The Journal of Physical Chemistry C, Vol. 122, Issue 15
A Multifaceted Study of Methane Adsorption in Metal-Organic Frameworks by Using Three Complementary Techniques
journal, May 2018
- Zhang, Yue; Lucier, Bryan E. G.; Fischer, Michael
- Chemistry - A European Journal, Vol. 24, Issue 31
Application of a High-Throughput Analyzer in Evaluating Solid Adsorbents for Post-Combustion Carbon Capture via Multicomponent Adsorption of CO 2 , N 2 , and H 2 O
journal, April 2015
- Mason, Jarad A.; McDonald, Thomas M.; Bae, Tae-Hyun
- Journal of the American Chemical Society, Vol. 137, Issue 14
The Chemistry of CO 2 Capture in an Amine-Functionalized Metal–Organic Framework under Dry and Humid Conditions
journal, August 2017
- Flaig, Robinson W.; Osborn Popp, Thomas M.; Fracaroli, Alejandro M.
- Journal of the American Chemical Society, Vol. 139, Issue 35
Spectroscopic Characterization of Adsorbed 13 CO 2 on 3-Aminopropylsilyl-Modified SBA15 Mesoporous Silica
journal, May 2017
- Chen, Chia-Hsin; Shimon, Daphna; Lee, Jason J.
- Environmental Science & Technology, Vol. 51, Issue 11
15 N Solid State NMR Spectroscopic Study of Surface Amine Groups for Carbon Capture: 3-Aminopropylsilyl Grafted to SBA-15 Mesoporous Silica
journal, January 2018
- Shimon, Daphna; Chen, Chia-Hsin; Lee, Jason J.
- Environmental Science & Technology, Vol. 52, Issue 3
Isolation and structural determination of two derivatives of the elusive carbamic acid
journal, January 2000
- Aresta, Michele; Ballivet-Tkatchenko, Danielle; Dell’Amico, Daniela Belli
- Chemical Communications, Issue 13
Adsorption and Activation of CO2 by Amine-Modified Nanoporous Materials Studied by Solid-State NMR and 13CO2 Adsorption
journal, March 2011
- Pinto, Moisés L.; Mafra, Luís; Guil, José M.
- Chemistry of Materials, Vol. 23, Issue 6, p. 1387-1395
Elucidation of Surface Species through in Situ FTIR Spectroscopy of Carbon Dioxide Adsorption on Amine-Grafted SBA-15
journal, August 2016
- Foo, Guo Shiou; Lee, Jason J.; Chen, Chia-Hsin
- ChemSusChem, Vol. 10, Issue 1
Characterization of a Mixture of CO 2 Adsorption Products in Hyperbranched Aminosilica Adsorbents by 13 C Solid-State NMR
journal, October 2015
- Moore, Jeremy K.; Sakwa-Novak, Miles A.; Chaikittisilp, Watcharop
- Environmental Science & Technology, Vol. 49, Issue 22
Correlations between proton chemical shift tensors, deuterium quadrupole couplings, and bond distances for hydrogen bonds in solids
journal, September 1980
- Berglund, Bo; Vaughan, Robert W.
- The Journal of Chemical Physics, Vol. 73, Issue 5
High-Resolution Solid-State 2 H NMR Spectroscopy of Polymorphs of Glycine
journal, November 2011
- Aliev, Abil E.; Mann, Sam E.; Rahman, Aisha S.
- The Journal of Physical Chemistry A, Vol. 115, Issue 44
Density Functional Theory Modeling and Calculation of NMR Parameters: An ab Initio Study of the Polymorphs of Bulk Glycine
journal, August 2010
- Stievano, Lorenzo; Tielens, Frederik; Lopes, Irène
- Crystal Growth & Design, Vol. 10, Issue 8
Effect of Humidity on the CO 2 Adsorption of Tertiary Amine Grafted SBA-15
journal, October 2017
- Lee, Jason J.; Chen, Chia-Hsin; Shimon, Daphna
- The Journal of Physical Chemistry C, Vol. 121, Issue 42
The “Missing” Bicarbonate in CO 2 Chemisorption Reactions on Solid Amine Sorbents
journal, June 2018
- Chen, Chia-Hsin; Shimon, Daphna; Lee, Jason J.
- Journal of the American Chemical Society, Vol. 140, Issue 28
Detecting Proton Transfer in CO 2 Species Chemisorbed on Amine-Modified Mesoporous Silicas by Using 13 C NMR Chemical Shift Anisotropy and Smart Control of Amine Surface Density
journal, June 2018
- Čendak, Tomaž; Sequeira, Lisa; Sardo, Mariana
- Chemistry - A European Journal, Vol. 24, Issue 40
Role of entropic effects in controlling the polymorphism in formate ABX 3 metal–organic frameworks
journal, January 2015
- Kieslich, Gregor; Kumagai, Shohei; Butler, Keith T.
- Chemical Communications, Vol. 51, Issue 85
Pore Environment Effects on Catalytic Cyclohexane Oxidation in Expanded Fe 2 (dobdc) Analogues
journal, October 2016
- Xiao, Dianne J.; Oktawiec, Julia; Milner, Phillip J.
- Journal of the American Chemical Society, Vol. 138, Issue 43
Modelling one- and two-dimensional solid-state NMR spectra: Modelling 1D and 2D solid-state NMR spectra
journal, December 2001
- Massiot, Dominique; Fayon, Franck; Capron, Mickael
- Magnetic Resonance in Chemistry, Vol. 40, Issue 1
15N chemical shift referencing in solid state NMR
journal, July 2014
- Bertani, Philippe; Raya, Jésus; Bechinger, Burkhard
- Solid State Nuclear Magnetic Resonance, Vol. 61-62
Methylammonium lead chloride: A sensitive sample for an accurate NMR thermometer
journal, October 2017
- Bernard, Guy M.; Goyal, Atul; Miskolzie, Mark
- Journal of Magnetic Resonance, Vol. 283
Projector augmented-wave method
journal, December 1994
- Blöchl, P. E.
- Physical Review B, Vol. 50, Issue 24, p. 17953-17979
From ultrasoft pseudopotentials to the projector augmented-wave method
journal, January 1999
- Kresse, G.; Joubert, D.
- Physical Review B, Vol. 59, Issue 3, p. 1758-1775
Ab initiomolecular dynamics for liquid metals
journal, January 1993
- Kresse, G.; Hafner, J.
- Physical Review B, Vol. 47, Issue 1, p. 558-561
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
journal, October 1996
- Kresse, G.; Furthmüller, J.
- Physical Review B, Vol. 54, Issue 16, p. 11169-11186
Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
journal, July 1996
- Kresse, G.; Furthmüller, J.
- Computational Materials Science, Vol. 6, Issue 1, p. 15-50
Ab initio molecular-dynamics simulation of the liquid-metal–amorphous-semiconductor transition in germanium
journal, May 1994
- Kresse, G.; Hafner, J.
- Physical Review B, Vol. 49, Issue 20, p. 14251-14269
Higher-accuracy van der Waals density functional
journal, August 2010
- Lee, Kyuho; Murray, Éamonn D.; Kong, Lingzhu
- Physical Review B, Vol. 82, Issue 8
Density-functional energies and forces with Gaussian-broadened fractional occupations
journal, May 1994
- Elsässer, C.; Fähnle, M.; Chan, C. T.
- Physical Review B, Vol. 49, Issue 19
Generalized Gradient Approximation Made Simple
journal, October 1996
- Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias
- Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868
A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu
journal, April 2010
- Grimme, Stefan; Antony, Jens; Ehrlich, Stephan
- The Journal of Chemical Physics, Vol. 132, Issue 15
Effect of the damping function in dispersion corrected density functional theory
journal, March 2011
- Grimme, Stefan; Ehrlich, Stephan; Goerigk, Lars
- Journal of Computational Chemistry, Vol. 32, Issue 7
Powder crystallography of pharmaceutical materials by combined crystal structure prediction and solid-state 1H NMR spectroscopy
journal, January 2013
- Baias, Maria; Widdifield, Cory M.; Dumez, Jean-Nicolas
- Physical Chemistry Chemical Physics, Vol. 15, Issue 21
Works referencing / citing this record:
Combining CO2 capture and catalytic conversion to methane
journal, April 2019
- Melo Bravo, Paulina; Debecker, Damien P.
- Waste Disposal & Sustainable Energy, Vol. 1, Issue 1
Cooperative Carbon Dioxide Adsorption in Alcoholamine‐ and Alkoxyalkylamine‐Functionalized Metal–Organic Frameworks
journal, February 2020
- Mao, Victor Y.; Milner, Phillip J.; Lee, Jung‐Hoon
- Angewandte Chemie International Edition, Vol. 59, Issue 44
Cooperative Carbon Dioxide Adsorption in Alcoholamine‐ and Alkoxyalkylamine‐Functionalized Metal–Organic Frameworks
journal, February 2020
- Mao, Victor Y.; Milner, Phillip J.; Lee, Jung‐Hoon
- Angewandte Chemie, Vol. 132, Issue 44
Recent advances in development of amine functionalized adsorbents for CO2 capture
journal, August 2019
- Gelles, Teresa; Lawson, Shane; Rownaghi, Ali A.
- Adsorption, Vol. 26, Issue 1
Gas transport regulation in a MO/MOF interface for enhanced selective gas detection
journal, January 2019
- Yao, Ming-Shui; Cao, Lin-An; Tang, Yong-Xiang
- Journal of Materials Chemistry A, Vol. 7, Issue 31
Solid-state NMR studies of the acidity of functionalized metal-organic framework UiO-66 materials
journal, July 2019
- Tang, Jing; Li, Shenhui; Chu, Yueying
- Magnetic Resonance in Chemistry
Peptide nanotube for carbon dioxide chemisorption with regeneration properties and water compatibility
journal, January 2019
- Geng, Rui; Lu, Danqin; Lai, Yi
- Chemical Communications, Vol. 55, Issue 26