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Han, Sang Soo, Goddard, William A. (2008) High H2 Storage of Hexagonal Metal−Organic Frameworks from First-Principles-Based Grand Canonical Monte Carlo Simulations. The Journal of Physical Chemistry C, 112 (35). 13431-13436 doi:10.1021/jp800832b

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Reference TypeJournal (article/letter/editorial)
TitleHigh H2 Storage of Hexagonal Metal−Organic Frameworks from First-Principles-Based Grand Canonical Monte Carlo Simulations
JournalThe Journal of Physical Chemistry C
AuthorsHan, Sang SooAuthor
Goddard, William A.Author
Year2008 (September 4)Volume112
Issue35
PublisherAmerican Chemical Society (ACS)
DOIdoi:10.1021/jp800832bSearch in ResearchGate
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Mindat Ref. ID3896279Long-form Identifiermindat:1:5:3896279:8
GUID0
Full ReferenceHan, Sang Soo, Goddard, William A. (2008) High H2 Storage of Hexagonal Metal−Organic Frameworks from First-Principles-Based Grand Canonical Monte Carlo Simulations. The Journal of Physical Chemistry C, 112 (35). 13431-13436 doi:10.1021/jp800832b
Plain TextHan, Sang Soo, Goddard, William A. (2008) High H2 Storage of Hexagonal Metal−Organic Frameworks from First-Principles-Based Grand Canonical Monte Carlo Simulations. The Journal of Physical Chemistry C, 112 (35). 13431-13436 doi:10.1021/jp800832b
In(2008, September) The Journal of Physical Chemistry C Vol. 112 (35) American Chemical Society (ACS)

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Han, Sang Soo, Choi, Seung-Hoon, Goddard, William A. (2010) Zeolitic Imidazolate Frameworks as H2 Adsorbents: Ab Initio Based Grand Canonical Monte Carlo Simulation. The Journal of Physical Chemistry C, 114 (27). 12039-12047 doi:10.1021/jp103785u
Mendoza-Cortés, José L., Han, Sang Soo, Goddard, William A. (2012) High H2 Uptake in Li-, Na-, K-Metalated Covalent Organic Frameworks and Metal Organic Frameworks at 298 K. The Journal of Physical Chemistry A, 116 (6). 1621-1631 doi:10.1021/jp206981d
Lan, Jianhui, Cheng, Daojian, Cao, Dapeng, Wang, Wenchuan (2008) Silicon Nanotube as a Promising Candidate for Hydrogen Storage:  From the First Principle Calculations to Grand Canonical Monte Carlo Simulations. The Journal of Physical Chemistry C, 112 (14). 5598-5604 doi:10.1021/jp711754h
Han, Sang Soo, Goddard, William A. (2007) Metal−Organic Frameworks Provide Large Negative Thermal Expansion Behavior. The Journal of Physical Chemistry C, 111 (42). 15185-15191 doi:10.1021/jp075389s
Han, Sang Soo, Furukawa, Hiroyasu, Yaghi, Omar M., Goddard, William A. (2008) Covalent Organic Frameworks as Exceptional Hydrogen Storage Materials. Journal Of The American Chemical Society, 130 (35) 11580-11581 doi:10.1021/ja803247y
Han, Sang Soo, Choi, Seung-Hoon, Goddard, William A. (2011) Improved H2 Storage in Zeolitic Imidazolate Frameworks Using Li+, Na+, and K+ Dopants, with an Emphasis on Delivery H2 Uptake. The Journal of Physical Chemistry C, 115 (8). 3507-3512 doi:10.1021/jp200321y
Han, Sang Soo, Deng, Wei-Qiao, Goddard, William A. (2007) Improved Designs of Metal–Organic Frameworks for Hydrogen Storage. Angewandte Chemie, 119 (33). 6405-6408 doi:10.1002/ange.200700303
Han, Sang Soo, Mendoza-Cortés, José L., Goddard III, William A. (2009) Recent advances on simulation and theory of hydrogen storage in metal–organic frameworks and covalent organic frameworks. Chemical Society Reviews, 38. 1460pp. doi:10.1039/b802430h
Han, Sang Soo, Deng, Wei-Qiao, Goddard, William A. (2007) Improved Designs of Metal-Organic Frameworks for Hydrogen Storage. Angewandte Chemie International Edition, 46 (33). 6289-6292 doi:10.1002/anie.200700303
Stanton, Robert, Trivedi, Dhara J. (2023) Investigating the Increased CO2 Capture Performance of Amino Acid Functionalized Nanoporous Materials from First-Principles and Grand Canonical Monte Carlo Simulations. The Journal of Physical Chemistry Letters, 14 (21) 5069-5076 doi:10.1021/acs.jpclett.3c00998
Han, Sang Soo, Goddard, William A. (2007) Lithium-Doped Metal-Organic Frameworks for Reversible H2Storage at Ambient Temperature. Journal Of The American Chemical Society, 129 (27) 8422-8423 doi:10.1021/ja072599+
 
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