Browsing by Author "Aksu, G. O."

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Accelerating discovery of COFs for CO2 capture and H2 purification using structurally guided computational screening

Aksu, G. O.; Fındıkçı, İlknur Eruçar; Haslak, Z. P.; Keskin, S. (Elsevier, 2022-01-01)

Screening of hypothetical covalent organic framework (hypoCOF) database enables to go beyond the current synthesized structures to design high-performance materials for CO2 separation. In this work, we followed a structurally ...
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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