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Title: Insights into the Stability of Zeolitic Imidazolate Frameworks in Humid Acidic Environments from First-Principles Calculations

Authors:
 [1]; ORCiD logo [2]; ORCiD logo [3]; ORCiD logo [3]; ORCiD logo [4]
  1. School of Chemical &, Biomolecular Engineering, Georgia Institute of Technology, Atlanta, Georgia 30332, United States; School of Chemistry and Biochemistry, Georgia Institute of Technology, Atlanta, Georgia 30332, United States
  2. Theoretical Chemistry Institute and Department of Chemistry, University of Wisconsin—Madison, 1101 University Avenue, Madison, Wisconsin 53706, United States; School of Minerals Processing and Bioengineering, Central South University, Changsha, Hunan 410083, China
  3. Theoretical Chemistry Institute and Department of Chemistry, University of Wisconsin—Madison, 1101 University Avenue, Madison, Wisconsin 53706, United States
  4. School of Chemical &, Biomolecular Engineering, Georgia Institute of Technology, Atlanta, Georgia 30332, United States
Publication Date:
Research Org.:
Energy Frontier Research Centers (EFRC) (United States). Center for Understanding and Control of Acid Gas-induced Evolution of Materials for Energy (UNCAGE-ME)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
OSTI Identifier:
1470287
DOE Contract Number:  
SC0012577
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Physical Chemistry. C; Journal Volume: 122; Journal Issue: 8; Related Information: UNCAGE-ME partners with Georgia Institute of Technology (lead); Lehigh University; Oak Ridge National Laboratory; University of Alabama; University of Florida; University of Wisconsin; Washington University in St. Louis
Country of Publication:
United States
Language:
English
Subject:
catalysis (heterogeneous), defects, membrane, carbon capture, materials and chemistry by design, synthesis (novel materials), synthesis (self-assembly), synthesis (scalable processing)

Citation Formats

Han, Chu, Zhang, Chenyang, Tymińska, Nina, Schmidt, J. R., and Sholl, David S. Insights into the Stability of Zeolitic Imidazolate Frameworks in Humid Acidic Environments from First-Principles Calculations. United States: N. p., 2018. Web. doi:10.1021/acs.jpcc.7b12058.
Han, Chu, Zhang, Chenyang, Tymińska, Nina, Schmidt, J. R., & Sholl, David S. Insights into the Stability of Zeolitic Imidazolate Frameworks in Humid Acidic Environments from First-Principles Calculations. United States. doi:10.1021/acs.jpcc.7b12058.
Han, Chu, Zhang, Chenyang, Tymińska, Nina, Schmidt, J. R., and Sholl, David S. Mon . "Insights into the Stability of Zeolitic Imidazolate Frameworks in Humid Acidic Environments from First-Principles Calculations". United States. doi:10.1021/acs.jpcc.7b12058.
@article{osti_1470287,
title = {Insights into the Stability of Zeolitic Imidazolate Frameworks in Humid Acidic Environments from First-Principles Calculations},
author = {Han, Chu and Zhang, Chenyang and Tymińska, Nina and Schmidt, J. R. and Sholl, David S.},
abstractNote = {},
doi = {10.1021/acs.jpcc.7b12058},
journal = {Journal of Physical Chemistry. C},
number = 8,
volume = 122,
place = {United States},
year = {Mon Feb 19 00:00:00 EST 2018},
month = {Mon Feb 19 00:00:00 EST 2018}
}