In Silico Discovery of Covalent Organic Frameworks for Carbon Capture.

Autor: Deeg KS; Department of Chemistry, University of California, Berkeley, California 94720, United States.; Laboratory of Molecular Simulation (LSMO), Institut des sciences et ingénierie chimiques (ISIC), École Polytechnique Fédérale de Lausanne (EPFL) Valais, 1951 Sion, Switzerland., Damasceno Borges D; Laboratory of Molecular Simulation (LSMO), Institut des sciences et ingénierie chimiques (ISIC), École Polytechnique Fédérale de Lausanne (EPFL) Valais, 1951 Sion, Switzerland.; Instituto de Física, Universidade Federal de Uberlândia, Uberlândia, MG 38408-100, Brasil., Ongari D; Laboratory of Molecular Simulation (LSMO), Institut des sciences et ingénierie chimiques (ISIC), École Polytechnique Fédérale de Lausanne (EPFL) Valais, 1951 Sion, Switzerland., Rampal N; Adsorption and Advanced Materials Laboratory (AAML), Department of Chemical Engineering & Biotechnology, University of Cambridge, Cambridge CB3 0AS, U.K.; Department of Chemical and Biomolecular Engineering, University of California, Berkeley, California 94720, United States., Talirz L; Laboratory of Molecular Simulation (LSMO), Institut des sciences et ingénierie chimiques (ISIC), École Polytechnique Fédérale de Lausanne (EPFL) Valais, 1951 Sion, Switzerland.; Theory and Simulation of Materials (THEOS), Faculté des Sciences et Techniques de l'Ingénieur, École Polytechnique Fédérale de Lausanne (EPFL), 1015 Lausanne, Switzerland., Yakutovich AV; Laboratory of Molecular Simulation (LSMO), Institut des sciences et ingénierie chimiques (ISIC), École Polytechnique Fédérale de Lausanne (EPFL) Valais, 1951 Sion, Switzerland.; Theory and Simulation of Materials (THEOS), Faculté des Sciences et Techniques de l'Ingénieur, École Polytechnique Fédérale de Lausanne (EPFL), 1015 Lausanne, Switzerland., Huck JM; Laboratory of Molecular Simulation (LSMO), Institut des sciences et ingénierie chimiques (ISIC), École Polytechnique Fédérale de Lausanne (EPFL) Valais, 1951 Sion, Switzerland.; Department of Chemical and Biomolecular Engineering, University of California, Berkeley, California 94720, United States., Smit B; Department of Chemistry, University of California, Berkeley, California 94720, United States.; Laboratory of Molecular Simulation (LSMO), Institut des sciences et ingénierie chimiques (ISIC), École Polytechnique Fédérale de Lausanne (EPFL) Valais, 1951 Sion, Switzerland.; Department of Chemical and Biomolecular Engineering, University of California, Berkeley, California 94720, United States.

Publikováno v: ACS applied materials & interfaces [ACS Appl Mater Interfaces] 2020 May 13; Vol. 12 (19), pp. 21559-21568. Date of Electronic Publication: 2020 Apr 29.

Materials Genome in Action: Identifying the Performance Limits of Physical Hydrogen Storage.

Autor: Thornton AW; Future Industries, Commonwealth Scientific and Industrial Research Organisation, Private Bag 10, Clayton Soutth MDC, Victoria 3169, Australia., Simon CM; Department of Chemical and Biomolecular Engineering and Department of Chemistry, University of California, Berkeley, California 94720-1462, United States., Kim J; Department of Chemical and Biomolecular Engineering, Korea Advanced Institute of Science and Technology, 291 Daehak-ro Yuseong-gu, Daejeon, 305-701, Korea., Kwon O; Department of Chemical and Biomolecular Engineering, Korea Advanced Institute of Science and Technology, 291 Daehak-ro Yuseong-gu, Daejeon, 305-701, Korea., Deeg KS; Department of Chemical and Biomolecular Engineering and Department of Chemistry, University of California, Berkeley, California 94720-1462, United States., Konstas K; Future Industries, Commonwealth Scientific and Industrial Research Organisation, Private Bag 10, Clayton Soutth MDC, Victoria 3169, Australia., Pas SJ; Power & Energy Systems, Maritime Division, Defence Science and Technology Group, Department of Defence, 506 Lorimer Street, Fishermans Bend, Victoria 3207, Australia.; School of Chemistry and Department of Chemical Engineering, Monash University, Clayton, Victoria 3800, Australia., Hill MR; Future Industries, Commonwealth Scientific and Industrial Research Organisation, Private Bag 10, Clayton Soutth MDC, Victoria 3169, Australia.; School of Chemistry and Department of Chemical Engineering, Monash University, Clayton, Victoria 3800, Australia., Winkler DA; Future Industries, Commonwealth Scientific and Industrial Research Organisation, Private Bag 10, Clayton Soutth MDC, Victoria 3169, Australia.; Monash Institute of Pharmaceutical Sciences, 381 Royal Parade, Parkville, Victoria 3052, Australia.; Latrobe Institute for Molecular Science, Bundoora, Victoria 3046, Australia.; School of Chemical and Physical Sciences, Flinders University, Bedford Park, South Australia 5042, Australia., Haranczyk M; Computational Research Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720-8139, United States., Smit B; Department of Chemical and Biomolecular Engineering and Department of Chemistry, University of California, Berkeley, California 94720-1462, United States.; Department of Chemical and Biomolecular Engineering and Department of Chemistry, University of California, Berkeley, California 94720-1462, United States.; Laboratory of Molecular Simulation, Institut des Sciences et Ingénierie Chimiques, Valais, Rue de l'Industrie 17, Ecole Polytechnique Fédérale de Lausanne (EPFL), CH-1950 Sion, Switzerland.

Publikováno v: Chemistry of materials : a publication of the American Chemical Society [Chem Mater] 2017 Apr 11; Vol. 29 (7), pp. 2844-2854. Date of Electronic Publication: 2017 Mar 08.