Browsing by Author "Gülçay, Ezgi"
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Biocompatible MOFs for storage and separation of O2: A molecular simulation study
Gülçay, Ezgi; Fındıkçı, İlknur Eruçar (American Chemical Society, 2019-02-27)Metal organic frameworks (MOFs) are great candidates for capturing 02 due to their highly porous structures and tunable physical and chemical properties. In this study, we assessed the performance of 1525 biocompatible ... -
Computational investigations of metal organic frameworks and covalent organic frameworks for gas storage and gas separation applications
Gülçay, Ezgi (2019-07-09)Ordered crystalline microporous materials including metal organic frameworks (MOFs), zeolite imidazolate frameworks (ZIFs), and covalent organic frameworks (COFs) have emerged as strong candidates for gas storage and gas ... -
Computational screening of covalent organic frameworks for hydrogen storage
Gülçay, Ezgi; Fındıkçı, İlknur Eruçar (Turkish Chemical Society, 2020)Covalent Organic Frameworks (COFs) have been considered as promising materials for gas storage applications due to their highly porous structures and tunable characteristics. In this work, high-throughput molecular simulations ... -
Computer simulations of 4240 MOF membranes for H2/CH4 separations: insights into structure–performance relations
Altintas, C.; Avci, G.; Daglar, H.; Gülçay, Ezgi; Fındıkçı, İlknur Eruçar; Keskin, S. (Royal Society of Chemistry, 2018-04-14)Design of new membranes having high H2/CH4 selectivity and high H2 permeability is strongly desired to reduce the energy demand for H2 production. Metal organic frameworks (MOFs) offer a great promise for membrane-based ... -
Metal-organic frameworks for biomedical applications
Gülçay, Ezgi; Fındıkçı, İlknur Eruçar (Elsevier, 2020)Metal-organic frameworks (MOFs) have received significant interest in the recent years as promising candidates for biomedical applications due to their high porosities and tunable surface characteristics. The rational ... -
Molecular simulations of COFs, IRMOFs and ZIFs for adsorption-based separation of carbon tetrachloride from air
Gülçay, Ezgi; Fındıkçı, İlknur Eruçar (Elsevier, 2019-01)Covalent organic frameworks (COFs), metal organic frameworks (MOFs) and zeolitic imidazolate frameworks (ZIFs) have been widely studied gas separation applications due to their large surface areas, high pore volumes, tunable ...
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