Browsing by Author "Avcı, G."
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Do new MOFs perform better for CO2 capture and H2 purification? Computational screening of the updated MOF database
Avcı, G.; Fındıkçı, İlknur Eruçar (ACS Publications, 2020-09-16)High-throughput computational screening of metal organic frameworks (MOFs) enables the discovery of new promising materials for CO2 capture and H2 purification. The number of synthesized MOFs is increasing very rapidly, ... -
Effect of metal–organic framework (MOF) database selection on the assessment of gas storage and separation potentials of MOFs
Dağlar, H.; Gulbalkan, H. C.; Avcı, G.; Aksu, G. O.; Altundal, O. F.; Altintas, C.; Fındıkçı, İlknur Eruçar; Keskin, S. (Wiley, 2021-03-29)Development of computation-ready metal–organic framework databases (MOF DBs) has accelerated high-throughput computational screening (HTCS) of materials to identify the best candidates for gas storage and separation. These ...
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