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Title: Enhancement of CO 2 binding and mechanical properties upon diamine functionalization of M 2 (dobpdc) metal–organic frameworks

We predict that the orientationally-averaged Young's modulus of mmen–Zn 2 (dobpdc) increases by 112% compared to Zn 2 (dobpdc), a remarkable increase.
Authors:
ORCiD logo [1] ; ORCiD logo [2] ; ORCiD logo [3] ;  [1] ; ORCiD logo [4] ; ORCiD logo [2] ;  [1]
  1. Molecular Foundry, Lawrence Berkeley National Laboratory, Berkeley, USA, Department of Physics
  2. Department of Chemistry, University of California, Berkeley, USA, Materials Sciences Division
  3. Molecular Foundry, Lawrence Berkeley National Laboratory, Berkeley, USA
  4. Molecular Foundry, Lawrence Berkeley National Laboratory, Berkeley, USA, Materials Sciences Division
Publication Date:
Grant/Contract Number:
SC0001015
Type:
Published Article
Journal Name:
Chemical Science
Additional Journal Information:
Journal Name: Chemical Science Journal Volume: 9 Journal Issue: 23; Journal ID: ISSN 2041-6520
Publisher:
Royal Society of Chemistry (RSC)
Sponsoring Org:
USDOE
Country of Publication:
United Kingdom
Language:
English
OSTI Identifier:
1438940