Hakan Demir

Özyeğin University — Turkey

Chemistry · Physical Sciences

17h-index1.1kcitations27works3.52yr avg
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Research Topics

Metal-Organic Frameworks: Synthesis and Applications(20), Membrane Separation and Gas Transport(7), Catalytic Processes in Materials Science(5), Carbon Dioxide Capture Technologies(5), Machine Learning in Materials Science(5)

Publications27 total

Effect of Atomic Charges on C<sub>2</sub>H<sub>2</sub>/CO<sub>2</sub>/CH<sub>4</sub> Separation Performances of Covalent‐Organic Framework Adsorbents
Advanced Theory and Simulations·2025· 1 citedOpen Access
Simulation and Machine Learning-Integrated Investigation of Double-Linker MOFs for the Separation of CF<sub>4</sub> from CH<sub>4</sub> and N<sub>2</sub>
Industrial & Engineering Chemistry Research·2024· 6 citedOpen Access
A New Era of Modeling MOF‐Based Membranes: Cooperation of Theory and Data Science
Macromolecular Materials and Engineering·2023· 20 citedOpen Access
Revealing acetylene separation performances of anion-pillared MOFs by combining molecular simulations and machine learning
Chemical Engineering Journal·2023· 17 citedOpen Access
Recent advances in computational modeling of MOFs: From molecular simulations to machine learning
Coordination Chemistry Reviews·2023· 182 citedOpen Access
Multi-Level Computational Screening of <i>in Silico</i> Designed MOFs for Efficient SO<sub>2</sub> Capture
The Journal of Physical Chemistry C·2022· 5 citedOpen Access
Hypothetical yet effective: Computational identification of high-performing MOFs for CO2 capture
Computers & Chemical Engineering·2022· 22 citedOpen Access
Computational investigation of multifunctional MOFs for adsorption and membrane-based separation of CF<sub>4</sub>/CH<sub>4</sub>, CH<sub>4</sub>/H<sub>2</sub>, CH<sub>4</sub>/N<sub>2</sub>, and N<sub>2</sub>/H<sub>2</sub> mixtures
Molecular Systems Design & Engineering·2022· 20 citedOpen Access
MOF Membranes for CO2 Capture: Past, Present and Future
Carbon Capture Science & Technology·2022· 126 citedOpen Access
Computational insights into efficient CO2 and H2S capture through zirconium MOFs
Journal of CO2 Utilization·2021· 23 citedOpen Access
Zr-MOFs for CF<sub>4</sub>/CH<sub>4</sub>, CH<sub>4</sub>/H<sub>2</sub>, and CH<sub>4</sub>/N<sub>2</sub> separation: towards the goal of discovering stable and effective adsorbents
Molecular Systems Design & Engineering·2021· 30 citedOpen Access
Enhancing Technological Applications through Density Functional Theory Modeling of Nanomaterials
ACS Applied Nano Materials·2020· 8 citedOpen Access
Metal–Organic Frameworks with Metal–Catecholates for O<sub>2</sub>/N<sub>2</sub>Separation
The Journal of Physical Chemistry C·2019· 42 citedOpen Access
Computational screening of metal–organic frameworks for biogas purification
Molecular Systems Design & Engineering·2019· 26 citedOpen Access
Metal–Organic Frameworks with Metal–Catecholates for O₂/N₂ Separation
The Journal of Physical Chemistry·2019· 2 cited
Computational Screening of Functionalized UiO-66 Materials for Selective Contaminant Removal from Air
The Journal of Physical Chemistry C·2017· 37 cited
Cation–Eutectic Transition <i>via</i> Sublattice Melting in CuInP<sub>2</sub>S<sub>6</sub>/In<sub>4/3</sub>P<sub>2</sub>S<sub>6</sub> van der Waals Layered Crystals
ACS Nano·2017· 84 citedOpen Access
Tuning the properties of metal–organic framework nodes as supports of single-site iridium catalysts: node modification by atomic layer deposition of aluminium
Faraday Discussions·2017· 38 cited
MOF
2016
High-<i>T</i><sub>c</sub> Layered Ferrielectric Crystals by Coherent Spinodal Decomposition
ACS Nano·2015· 93 citedOpen Access
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Frequent Co-authors

Seda Keskın(9), David S. Sholl(7), Christopher J. Cramer(5), Jeffery A. Greathouse(4), Mark D. Allendorf(4), Laura Gagliardi(4), Omar K. Farha(3), J. Ilja Siepmann(3), Hasan Can Gülbalkan(2), Gokhan Onder Aksu(2), Marie V. Parkes(2), Michael A. Susner(2), Albina Y. Borisevich(2), Qian He(2), Marius Chyasnavichyus(2), Panchapakesan Ganesh(2), Michael A. McGuire(2), Petro Maksymovych(2), Samuel J. Stoneburner(2), WooSeok Jeong(2)