Browsing Natural and Mathematical Sciences by Author "Altintas, C."
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Computational investigation of dual filler-incorporated polymer membranes for efficient CO2 and H2 separation: MOF/COF/Polymer mixed matrix membranes
Aydın, S.; Altintas, C.; Fındıkçı, İlknur Eruçar; Keskin, S. (American Chemical Society, 2023-01-26)Mixed matrix membranes (MMMs) composed of two different fillers such as metal-organic frameworks (MOFs) and covalent-organic frameworks (COFs) embedded into polymers provide enhanced gas separation performance. Since it ... -
Database for CO2 separation performances of MOFs based on computational materials screening
Altintas, C.; Avci, G.; Daglar, H.; Azar, A. N. V.; Velioglu, S.; Fındıkçı, İlknur Eruçar; Keskin, S. (American Chemical Society, 2018-05-23)Metal-organic frameworks (MOFs) are potential adsorbents for CO2 capture. Because thousands of MOFs exist, computational studies become very useful in identifying the top performing materials for target applications in a ... -
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 ... -
An extensive comparative analysis of two MOF databases: high-throughput screening of computation-ready MOFs for CH4 and H2 adsorption
Altintas, C.; Avci, G.; Daglar, H.; Azar, A. N. V.; Fındıkçı, İlknur Eruçar; Velioglu, S.; Keskin, S. (Royal Society of Chemistry, 2019-04-28)Computation-ready metal-organic framework (MOF) databases (DBs) have tremendous value since they provide directly useable crystal structures for molecular simulations. The currently available two DBs, the CoRE DB ... -
Metal-organic framework-based materials for the abatement of air pollution and decontamination of wastewater
Daglar, H.; Altintas, C.; Fındıkçı, İlknur Eruçar; Heidari, G.; Zare, E. N.; Moradi, O.; Srivastava, V.; Iftekhar, S.; Keskin, S.; Sillanpää, M. (Elsevier, 2022-09)Developing new and efficient technologies for environmental remediation is becoming significant due to the increase in global concerns such as climate change, severe epidemics, and energy crises. Air pollution, primarily ...
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