In Silico Design of 2D and 3D Covalent Organic Frameworks for Methane Storage Applications

Journal Article · 20 June 2018 · Chemistry of Materials

DOI: https://doi.org/10.1021/acs.chemmater.8b01425 · OSTI ID:1477899

Mercado, Rocío  ^[1]; Fu, Rueih-Sheng ^[2]; Yakutovich, Aliaksandr V.  ^[3]; Talirz, Leopold  ^[3]; Haranczyk, Maciej  ^[4]; Smit, Berend  ^[5]

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1. Department of Chemistry, University of California, Berkeley, Berkeley, California 94720, United States
2. Department of Chemical and Biomolecular Engineering, University of California, Berkeley, Berkeley, California 94720, United States
3. Laboratory of Molecular Simulation (LSMO), Institut des Sciences et Ingenierie Chimiques, Valais, École Polytechnique Fedérale de Lausanne (EPFL), de Lausanne (EPFL), Rue de l’Industrie 17, CH-1951 Sion, Switzerland, Theory and Simulation of Materials, Faculté des Sciences et Techniques de l’Ingénieur, École Polytechnique Fedérale, Station 9, CH-1015 Lausanne, Switzerland
4. Lawrence Berkeley National Laboratory, Berkeley, California 94720, United States, IMDEA Materials Institute, C/Eric Kandel 2, 28906 Getafe, Madrid, Spain
5. Department of Chemical and Biomolecular Engineering, University of California, Berkeley, Berkeley, California 94720, United States, Laboratory of Molecular Simulation (LSMO), Institut des Sciences et Ingenierie Chimiques, Valais, École Polytechnique Fedérale de Lausanne (EPFL), de Lausanne (EPFL), Rue de l’Industrie 17, CH-1951 Sion, Switzerland, Lawrence Berkeley National Laboratory, Berkeley, California 94720, United States

Not Available

• Research Organization: Energy Frontier Research Centers (EFRC) (United States). Center for Gas Separations Relevant to Clean Energy Technologies (CGS); IMDEA Materials Inst., Madrid (Spain); Swiss Federal Inst. of Technology in Lausanne (EPFL) (Switzerland); Univ. of California, Berkeley, CA (United States)
• Sponsoring Organization: European Research Council (ERC); Ministry of Economy and Competitiveness (Spain); National Science Foundation (NSF) (United States); Swiss National Science Foundation (SNSF); USDOE Office of Science (SC), Basic Energy Sciences (BES); USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
• Grant/Contract Number: AC02-05CH11231; SC0001015
• OSTI ID: 1477899
• Journal Information: Chemistry of Materials, Journal Name: Chemistry of Materials Journal Issue: 15 Vol. 30; ISSN 0897-4756
• Publisher: American Chemical SocietyCopyright Statement
• Country of Publication: United States
• Language: English