Cargando…

Do New MOFs Perform Better for CO(2) Capture and H(2) Purification? Computational Screening of the Updated MOF Database

[Image: see text] High-throughput computational screening of metal organic frameworks (MOFs) enables the discovery of new promising materials for CO(2) capture and H(2) purification. The number of synthesized MOFs is increasing very rapidly, and computation-ready, experimental MOF databases are bein...

Descripción completa

Detalles Bibliográficos
Autores principales:	Avci, Gokay, Erucar, Ilknur, Keskin, Seda
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	American Chemical Society 2020
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7591111/ https://www.ncbi.nlm.nih.gov/pubmed/32818375 http://dx.doi.org/10.1021/acsami.0c12330

Ejemplares similares

Database for CO(2) Separation Performances of MOFs Based on Computational Materials Screening
por: Altintas, Cigdem, et al.
Publicado: (2018)

High-Throughput Screening of MOF Adsorbents and Membranes for H(2) Purification and CO(2) Capture
por: Avci, Gokay, et al.
Publicado: (2018)

Effect of Metal–Organic Framework (MOF) Database Selection on the Assessment of Gas Storage and Separation Potentials of MOFs
por: Daglar, Hilal, et al.
Publicado: (2021)

Computer simulations of 4240 MOF membranes for H(2)/CH(4) separations: insights into structure–performance relations
por: Altintas, Cigdem, et al.
Publicado: (2018)

Unlocking the Effect of H(2)O on CO(2) Separation Performance of Promising MOFs Using Atomically Detailed Simulations
por: Erucar, Ilknur, et al.
Publicado: (2020)

Recent advances in simulating gas permeation through MOF membranes
por: Daglar, Hilal, et al.
Publicado: (2021)

MOF/COF hybrids as next generation materials for energy and biomedical applications
por: Altintas, Cigdem, et al.
Publicado: (2022)

Computational Investigation of Dual Filler-Incorporated Polymer Membranes for Efficient CO(2) and H(2) Separation: MOF/COF/Polymer Mixed Matrix Membranes
por: Aydin, Sena, et al.
Publicado: (2023)

Multi-Level Computational Screening of in Silico Designed MOFs for Efficient SO(2) Capture
por: Demir, Hakan, et al.
Publicado: (2022)

Computational Screening of MOFs for Acetylene Separation
por: Nemati Vesali Azar, Ayda, et al.
Publicado: (2018)

High-Throughput Computational Screening of the Metal Organic Framework Database for CH(4)/H(2) Separations
por: Altintas, Cigdem, et al.
Publicado: (2018)

Large-Scale Computational Screening of Metal Organic Framework (MOF) Membranes and MOF-Based Polymer Membranes for H(2)/N(2) Separations
por: Azar, Ayda Nemati Vesali, et al.
Publicado: (2019)

Molecular Simulations of MOF Membranes and Performance Predictions of MOF/Polymer Mixed Matrix Membranes for CO(2)/CH(4) Separations
por: Altintas, Cigdem, et al.
Publicado: (2018)

Effects of Force Field Selection on the Computational Ranking of MOFs for CO(2) Separations
por: Dokur, Derya, et al.
Publicado: (2018)

Combining Machine Learning and Molecular Simulations to Unlock Gas Separation Potentials of MOF Membranes and MOF/Polymer MMMs
por: Daglar, Hilal, et al.
Publicado: (2022)

A single-ligand ultra-microporous MOF for precombustion CO(2) capture and hydrogen purification
por: Nandi, Shyamapada, et al.
Publicado: (2015)

Molecular simulations of MOF membranes for separation of ethane/ethene and ethane/methane mixtures
por: Altintas, Cigdem, et al.
Publicado: (2017)

Simulation of H(2)/CH(4) mixture permeation through MOF membranes using non-equilibrium molecular dynamics
por: Velioglu, Sadiye, et al.
Publicado: (2019)

High-Selective CO(2) Capture in Amine-Decorated Al-MOFs
por: Wan, Yinji, et al.
Publicado: (2022)

Computational investigation of multifunctional MOFs for adsorption and membrane-based separation of CF(4)/CH(4), CH(4)/H(2), CH(4)/N(2), and N(2)/H(2) mixtures
por: Demir, Hakan, et al.
Publicado: (2022)

MOFs and MOF-Derived Materials for Antibacterial Application
por: Zhang, Xin, et al.
Publicado: (2022)

Flying MOFs: polyamine-containing fluidized MOF/SiO(2) hybrid materials for CO(2) capture from post-combustion flue gas
por: Luz, Ignacio, et al.
Publicado: (2018)

Atomistic structures and dynamics of prenucleation clusters in MOF-2 and MOF-5 syntheses
por: Xing, Junfei, et al.
Publicado: (2019)

Zr-MOFs for CF(4)/CH(4), CH(4)/H(2), and CH(4)/N(2) separation: towards the goal of discovering stable and effective adsorbents
por: Demir, Hakan, et al.
Publicado: (2021)

Metal Exchange Boosts the CO(2) Selectivity of Metal Organic Frameworks Having Zn-Oxide Nodes
por: Avci, Gokay, et al.
Publicado: (2021)

Selectivity of MOFs and Silica Nanoparticles in CO(2) Capture from Flue Gases
por: Bucura, Felicia, et al.
Publicado: (2023)

Microscopic insight into the shaping of MOFs and its impact on CO(2) capture performance
por: Naskar, Supriyo, et al.
Publicado: (2023)

Capture of toxic gases in MOFs: SO(2), H(2)S, NH(3) and NO(x)
por: Martínez-Ahumada, Eva, et al.
Publicado: (2021)

Site-specific growth of MOF-on-MOF heterostructures with controllable nano-architectures: beyond the combination of MOF analogues
por: Liu, Chao, et al.
Publicado: (2020)

Coordination Driven Capture of Nicotine Inside a Mesoporous MOF
por: Balestri, Davide, et al.
Publicado: (2017)

Capture, Storage, and Release of Oxygen by Metal–Organic Frameworks (MOFs)
por: Sutton, Ashley L., et al.
Publicado: (2022)

Research on Improved MOF Materials Modified by Functional Groups for Purification of Water
por: Liu, Junyan, et al.
Publicado: (2023)

Effect of steric hindrance on the interfacial connection of MOF-on-MOF architectures
por: Ha, Junsu, et al.
Publicado: (2023)

Implementation of a Core–Shell Design Approach for Constructing MOFs for CO(2) Capture
por: He, Yiwen, et al.
Publicado: (2023)

MIL‐53(Al) as a Versatile Platform for Ionic‐Liquid/MOF Composites to Enhance CO(2) Selectivity over CH(4) and N(2)
por: Kavak, Safiyye, et al.
Publicado: (2019)

Integrating Molecular Simulations with Machine Learning Guides in the Design and Synthesis of [BMIM][BF(4)]/MOF Composites for CO(2)/N(2) Separation
por: Daglar, Hilal, et al.
Publicado: (2023)

Novel Core/Shell Nylon 6,6/La-TMA MOF Electrospun Nanocomposite Membrane and CO(2) Capture Assessments of the Membrane and Pure La-TMA MOF
por: Fateminia, Zohreh, et al.
Publicado: (2023)

Exquisitely Constructing a Robust MOF with Dual Pore Sizes for Efficient CO(2) Capture
por: Li, Yanxi, et al.
Publicado: (2023)

Controlled alkali etching of MOFs with secondary building units for low-concentration CO(2) capture
por: Dong, Hong, et al.
Publicado: (2023)

Block co-polyMOFs: morphology control of polymer–MOF hybrid materials
por: Ayala, Sergio, et al.
Publicado: (2018)

Cannot write session to /tmp/vufind_sessions/sess_u195dsntd12ugqbdqao435n5i8