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Doping of Alkali, Alkaline-Earth, and Transition Metals in Covalent-Organic Frameworks for Enhancing CO2 Capture by First-Principles Calculations and Molecular Simulations

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What this work says

Outgoing claims: the papers this work cites, builds on, or argues with.

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Lithium‐Doped 3D Covalent Organic Frameworks: High‐Capacity Hydrogen Storage Materials
inferredcites →https://doi.org/10.1002/anie.200904637openalex-snapshot
Targeted Synthesis of a Porous Aromatic Framework with High Stability and Exceptionally High Surface Area
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An approach to computing electrostatic charges for molecules
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Atomic charges derived from semiempirical methods
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MP2 energy evaluation by direct methods
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A direct MP2 gradient method
inferredcites →https://doi.org/10.1016/0009-2614(90)80030-hopenalex-snapshot
Semi-direct algorithms for the MP2 energy and gradient
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Analytic MP2 frequencies without fifth-order storage. Theory and application to bifurcated hydrogen bonds in the water hexamer
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Separation of CO2/CH4 mixtures with the MIL-53(Al) metal–organic framework
inferredcites →https://doi.org/10.1021/cm900049xopenalex-snapshot
Enhanced CO 2 Adsorption in Metal-Organic Frameworks via Occupation of Open-Metal Sites by Coordinated Water Molecules
inferredcites →https://doi.org/10.1021/ef800938eopenalex-snapshot
CO2Adsorption-Based Separation by Metal Organic Framework (Cu-BTC) versus Zeolite (13X)
inferredcites →https://doi.org/10.1021/j100161a070openalex-snapshot
Charge equilibration for molecular dynamics simulations
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Different Adsorption Behaviors of Methane and Carbon Dioxide in the Isotypic Nanoporous Metal Terephthalates MIL-53 and MIL-47
inferredcites →https://doi.org/10.1021/ja0550125openalex-snapshot
Clustering of Ti on a C 60 Surface and Its Effect on Hydrogen Storage
inferredcites →https://doi.org/10.1021/ja0570032openalex-snapshot
Metal−Organic Frameworks with Exceptionally High Capacity for Storage of Carbon Dioxide at Room Temperature
inferredcites →https://doi.org/10.1021/ja072599+openalex-snapshot
Lithium-Doped Metal-Organic Frameworks for Reversible H2 Storage at Ambient Temperature
inferredcites →https://doi.org/10.1021/ja0740364openalex-snapshot
Chemical Reduction of Metal−Organic Framework Materials as a Method to Enhance Gas Uptake and Binding
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Understanding Inflections and Steps in Carbon Dioxide Adsorption Isotherms in Metal-Organic Frameworks
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Flexible (Breathing) Interpenetrated Metal−Organic Frameworks for CO2 Separation Applications
inferredcites →https://doi.org/10.1021/ja809459eopenalex-snapshot
Control of Pore Size and Functionality in Isoreticular Zeolitic Imidazolate Frameworks and their Carbon Dioxide Selective Capture Properties
inferredcites →https://doi.org/10.1021/ja901061jopenalex-snapshot
Unprecedentedly High Selective Adsorption of Gas Mixtures in rho Zeolite-like Metal−Organic Framework: A Molecular Simulation Study
inferredcites →https://doi.org/10.1021/ja9015765openalex-snapshot
Storage of Hydrogen, Methane, and Carbon Dioxide in Highly Porous Covalent Organic Frameworks for Clean Energy Applications
inferredcites →https://doi.org/10.1021/ja903411wopenalex-snapshot
Strong CO2 Binding in a Water-Stable, Triazolate-Bridged Metal−Organic Framework Functionalized with Ethylenediamine
inferredcites →https://doi.org/10.1021/je0498917openalex-snapshot
Adsorption Equilibrium of Methane, Carbon Dioxide, and Nitrogen on Zeolite 13X at High Pressures
inferredcites →https://doi.org/10.1021/je060218mopenalex-snapshot
Methane Storage on Phenol-Based Activated Carbons at (293.15, 303.15, and 313.15) K
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Optimization of Single-Walled Carbon Nanotube Arrays for Methane Storage at Room Temperature
inferredcites →https://doi.org/10.1021/jp0622740openalex-snapshot
Comparative Study of Hydrogen Adsorption on Carbon and BN Nanotubes
inferredcites →https://doi.org/10.1021/jp075290lopenalex-snapshot
Screening Metal−Organic Framework Materials for Membrane-based Methane/Carbon Dioxide Separations
inferredcites →https://doi.org/10.1021/jp075782yopenalex-snapshot
Probing the Adsorption Sites for CO2 in Metal Organic Frameworks Materials MIL-53 (Al, Cr) and MIL-47 (V) by Density Functional Theory
inferredcites →https://doi.org/10.1021/jp077618gopenalex-snapshot
A Microporous Metal−Organic Framework for Separation of CO2/N2 and CO2/CH4 by Fixed-Bed Adsorption
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Silicon Nanotube as a Promising Candidate for Hydrogen Storage: From the First Principle Calculations to Grand Canonical Monte Carlo Simulations
inferredcites →https://doi.org/10.1021/jp800630sopenalex-snapshot
Large-Scale Screening of Metal Hydride Mixtures for High-Capacity Hydrogen Storage from First-Principles Calculations
inferredcites →https://doi.org/10.1021/jp804637xopenalex-snapshot
Ti-Decorated Doped Silicon Fullerene: A Possible Hydrogen-Storage Material
inferredcites →https://doi.org/10.1021/jp906387mopenalex-snapshot
Hydrogen Storage in Mesoporous Coordination Frameworks: Experiment and Molecular Simulation
inferredcites →https://doi.org/10.1021/jp970586kopenalex-snapshot
Comparative Study of Benzene···X (X = O2, N2, CO) Complexes Using Density Functional Theory: The Importance of an Accurate Exchange−Correlation Energy Density at High Reduced Density Gradients
inferredcites →https://doi.org/10.1021/jz900475bopenalex-snapshot
High-Capacity Hydrogen Storage in Porous Aromatic Frameworks with Diamond-like Structure
inferredcites →https://doi.org/10.1021/la010061qopenalex-snapshot
Adsorption of Supercritical Carbon Dioxide on Silica
inferredcites →https://doi.org/10.1021/la800227xopenalex-snapshot
High Uptakes of CO2 and CH4 in Mesoporous Metal—Organic Frameworks MIL-100 and MIL-101
inferredcites →https://doi.org/10.1021/la800369sopenalex-snapshot
Molecular Screening of Metal−Organic Frameworks for CO2 Storage
inferredcites →https://doi.org/10.1021/la800555xopenalex-snapshot
Separation of CO 2 from CH 4 Using Mixed-Ligand Metal−Organic Frameworks
inferredcites →https://doi.org/10.1021/la9020383openalex-snapshot
High Uptakes of Methane in Li-Doped 3D Covalent Organic Frameworks
inferredcites →https://doi.org/10.1021/nl0603911openalex-snapshot
SiC Nanotubes: A Novel Material for Hydrogen Storage
inferredcites →https://doi.org/10.1021/nn900842jopenalex-snapshot
Li 12 Si 60 H 60 Fullerene Composite: A Promising Hydrogen Storage Medium
inferredcites →https://doi.org/10.1038/nature06900openalex-snapshot
Colossal cages in zeolitic imidazolate frameworks as selective carbon dioxide reservoirs
inferredcites →https://doi.org/10.1039/b911242aopenalex-snapshot
Application of metal–organic frameworks with coordinatively unsaturated metal sites in storage and separation of methane and carbon dioxide
inferredcites →https://doi.org/10.1063/1.1344891openalex-snapshot
Interaction energies of van der Waals and hydrogen bonded systems calculated using density functional theory: Assessing the PW91 model
inferredcites →https://doi.org/10.1063/1.1355769openalex-snapshot
Adsorption of linear hydrocarbons in zeolites: A density-functional investigation
inferredcites →https://doi.org/10.1063/1.2912525openalex-snapshot
Ideal metal-decorated three dimensional covalent organic frameworks for reversible hydrogen storage
inferredcites →https://doi.org/10.1063/1.3120909openalex-snapshot
Impact of ligands on CO2 adsorption in metal-organic frameworks: First principles study of the interaction of CO2 with functionalized benzenes. I. Inductive effects on the aromatic ring
inferredcites →https://doi.org/10.1063/1.3276105openalex-snapshot
Impact of ligands on CO2 adsorption in metal-organic frameworks: First principles study of the interaction of CO2 with functionalized benzenes. II. Effect of polar and acidic substituents
inferredcites →https://doi.org/10.1063/1.464913openalex-snapshot
Density-functional thermochemistry. III. The role of exact exchange
inferredcites →https://doi.org/10.1073/pnas.0708603104openalex-snapshot
Li-decorated metal–organic framework 5: A route to achieving a suitable hydrogen storage medium
inferredcites →https://doi.org/10.1073/pnas.0909718106openalex-snapshot
Highly efficient separation of carbon dioxide by a metal-organic framework replete with open metal sites
inferredcites →https://doi.org/10.1080/01496390802282347openalex-snapshot
Single and Multicomponent Sorption of CO 2 , CH 4 and N 2 in a Microporous Metal-Organic Framework
inferredcites →https://doi.org/10.1103/physrevb.69.132502openalex-snapshot
Electronic structure of CaCuO2 from the B3LYP hybrid density functional
inferredcites →https://doi.org/10.1103/physrevb.72.153403openalex-snapshot
Molecular and dissociative adsorption of multiple hydrogen molecules on transition metal decorated C60
inferredcites →https://doi.org/10.1103/physrevb.75.245413openalex-snapshot
Ab initioinvestigation of molecular hydrogen physisorption on graphene and carbon nanotubes
inferredcites →https://doi.org/10.1103/physrevlett.94.175501openalex-snapshot
Titanium-Decorated Carbon Nanotubes as a Potential High-Capacity Hydrogen Storage Medium
inferredcites →https://doi.org/10.1126/science.1139915openalex-snapshot
Designed Synthesis of 3D Covalent Organic Frameworks
inferredcites →https://doi.org/10.1126/science.1152516openalex-snapshot
High-Throughput Synthesis of Zeolitic Imidazolate Frameworks and Application to CO 2 Capture
inferredcites →https://doi.org/10.3390/i3040423openalex-snapshot
Zeolite-Catalyzed Hydrocarbon Formation from Methanol: Density Functional Simulations

What points at this work

Incoming claims: where this work appears in other papers’ reference lists and arguments.

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Application of lithium modified ZIF-90 in a hybrid absorption-adsorption method for carbon capture
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Synthesis of a Ca/Na-aluminosilicate from kaolin and limestone and its use for adsorption of CO 2
inferred← citeshttps://doi.org/10.1016/j.jece.2025.115881openalex-snapshot
Advanced materials for CO2 capture and storage: A comprehensive review of current progress and future prospects
inferred← citeshttps://doi.org/10.1016/j.jmgm.2021.108112openalex-snapshot
Sc-functionalized porphyrin-like porous fullerene for CO2 storage and separation: A first-principles evaluation
inferred← citeshttps://doi.org/10.1016/j.jpcs.2015.11.006openalex-snapshot
Lithium absorption on single-walled boron nitride, aluminum nitride, silicon carbide and carbon nanotubes: A first-principles study
inferred← citeshttps://doi.org/10.1016/j.mattod.2022.02.001openalex-snapshot
Structure–performance correlation guided applications of covalent organic frameworks
inferred← citeshttps://doi.org/10.1016/j.memsci.2015.07.029openalex-snapshot
Insights into the ultrahigh gas separation efficiency of Lithium doped carbon nanotube membrane using carrier-facilitated transport mechanism
inferred← citeshttps://doi.org/10.1016/j.microc.2023.108954openalex-snapshot
From metal-organic frameworks (MOFs) to metal-doped MOFs (MDMOFs): Current and future scenarios in environmental catalysis and remediation applications
inferred← citeshttps://doi.org/10.1016/j.micromeso.2015.04.025openalex-snapshot
A novel malonamide bridged silsesquioxane precursor for enhanced dispersion of transition metal ions in hybrid silica membranes
inferred← citeshttps://doi.org/10.1016/j.micromeso.2016.12.009openalex-snapshot
UTSA-16 as an efficient microporous catalyst for CO2 conversion to cyclic carbonates
inferred← citeshttps://doi.org/10.1016/j.micromeso.2019.04.046openalex-snapshot
Theoretical study of heterofullerene-linked metal–organic framework with lithium doping for CO2 capture and separation from CO2/CH4 and CO2/H2 mixtures
inferred← citeshttps://doi.org/10.1016/j.micromeso.2019.109590openalex-snapshot
Water adsorption studies on synthesized alkali-ions doped Al-fumarate MOFs and Al-fumarate + zeolite composites for higher water uptakes and faster kinetics
inferred← citeshttps://doi.org/10.1016/j.micromeso.2021.111386openalex-snapshot
Two-dimensional imine covalent organic frameworks for methane and ethane separation: A GCMC simulation study
inferred← citeshttps://doi.org/10.1016/j.micromeso.2022.112318openalex-snapshot
Functionalized modulators in imine-linked covalent organic frameworks (COFs)
inferred← citeshttps://doi.org/10.1016/j.molliq.2018.11.124openalex-snapshot
Adsorption behavior of metformin drug on boron nitride fullerenes: Thermodynamics and DFT studies
inferred← citeshttps://doi.org/10.1016/j.molstruc.2019.02.064openalex-snapshot
Potassium coordination polymer complex containing tetrazolyl ligand
inferred← citeshttps://doi.org/10.1016/j.molstruc.2024.140830openalex-snapshot
Integration TiO2 nanosheets into defect engineered Zr-based MOF for highly selective and efficient photocatalytic conversion of CO2 to ethane
inferred← citeshttps://doi.org/10.1016/j.pmatsci.2025.101538openalex-snapshot
When covalent organic frameworks meet metals: From opportunities toward applications
inferred← citeshttps://doi.org/10.1016/j.poly.2019.114338openalex-snapshot
Alkali metals-promoted capacity of ZIF-8 and ZIF-90 for carbon capturing: A molecular simulation study
inferred← citeshttps://doi.org/10.1016/j.rineng.2024.103379openalex-snapshot
Enhanced carbon dioxide capture through composite of polyamide 6 nanofibers and zeolites: Preparation and performance evaluation
inferred← citeshttps://doi.org/10.1016/j.rser.2025.115754openalex-snapshot
Tailoring the structural design of covalent organic frameworks for enhanced photocatalytic carbon dioxide reduction: a review
inferred← citeshttps://doi.org/10.1016/j.rser.2025.115949openalex-snapshot
Functional strategies and performance assessment of covalent organic framework–based materials for carbon dioxide capture
inferred← citeshttps://doi.org/10.1016/j.seppur.2017.11.068openalex-snapshot
Heavy metal ion removal of wastewater by zeolite-imidazolate frameworks
inferred← citeshttps://doi.org/10.1016/j.seppur.2023.125937openalex-snapshot
Ultrahigh performance CO2 capture and separation in alkali metal anchored 2D-COF
inferred← citeshttps://doi.org/10.1016/j.seppur.2024.126534openalex-snapshot
Improving CO2 capture in UTSA-16(Zn) via alkali and alkaline earth metal Introduction: GCMC and MD simulations study
inferred← citeshttps://doi.org/10.1016/j.seppur.2024.127036openalex-snapshot
Efficient CO2 capture and separation in TpPa COFs: Synergies from functional groups and metal Li
inferred← citeshttps://doi.org/10.1016/j.seppur.2024.129897openalex-snapshot
Ultrahigh CO2 capture and separation in 3D Cage-COFs: Synergistic effect from Li, topology, and pore size
inferred← citeshttps://doi.org/10.1016/j.seppur.2026.137962openalex-snapshot
High-efficiency CO2 separation in Li-functionalized 3D MOFs: Synergy of interpenetration degree and polarity
inferred← citeshttps://doi.org/10.1016/s1872-5805(25)61018-3openalex-snapshot
A review of covalent organic framework materials for CO2 adsorption
inferred← citeshttps://doi.org/10.1016/s2095-4956(14)60173-xopenalex-snapshot
Alkali metal cation doping of metal-organic framework for enhancing carbon dioxide adsorption capacity
inferred← citeshttps://doi.org/10.1021/acs.analchem.5c03853openalex-snapshot
Bromine-Functionalized Covalent Organic Frameworks Enhancing the Desorption Efficiency and Enabling Preconcentration of Brominated Pollutants for Mass Spectrometry Detection
inferred← citeshttps://doi.org/10.1021/acs.chemmater.0c00183openalex-snapshot
Microporous Materials in Scalable Shapes: Fiber Sorbents
inferred← citeshttps://doi.org/10.1021/acs.chemmater.0c02913openalex-snapshot
Doping Modulation of the Charge Injection Barrier between a Covalent Organic Framework Monolayer and Graphene
inferred← citeshttps://doi.org/10.1021/acs.chemmater.5b02053openalex-snapshot
2D Covalent Organic Frameworks with Alternating Triangular and Hexagonal Pores
inferred← citeshttps://doi.org/10.1021/acs.chemmater.5b02151openalex-snapshot
Tunable Water and CO 2 Sorption Properties in Isostructural Azine-Based Covalent Organic Frameworks through Polarity Engineering
inferred← citeshttps://doi.org/10.1021/acs.chemrev.6b00626openalex-snapshot
CO 2 Capture and Separations Using MOFs: Computational and Experimental Studies
inferred← citeshttps://doi.org/10.1021/acs.iecr.3c01730openalex-snapshot
Simulation Study of Mass Transfer Characteristics of CH4/CO2 Separation in Multiple Types of Covalent Organic Framework Membrane Materials
inferred← citeshttps://doi.org/10.1021/acs.iecr.4c04786openalex-snapshot
Increasing the Performance of Covalent Organic Frameworks in the Separation of the CO2/CH4 Mixture by Tuning the Structural Arrangement of Layers and Pore Size: An MD/GCMC Simulation Study
inferred← citeshttps://doi.org/10.1021/acs.iecr.7b04496openalex-snapshot
Thiophene Separation with Silver-Doped Cu-BTC Metal–Organic Framework for Deep Desulfurization
inferred← citeshttps://doi.org/10.1021/acs.jafc.6c02097openalex-snapshot
Synthesis of Covalent Organic Frameworks and Their Applications in the Food Industry
inferred← citeshttps://doi.org/10.1021/acs.jpcc.3c05371openalex-snapshot
Exploring the Role of Functional Groups in Modulating NO and CO Adsorption and Diffusion in 2D (Zn)MOF-470: A Multiscale Computational Study
inferred← citeshttps://doi.org/10.1021/acs.jpcc.5b10284openalex-snapshot
Simulations of Gas Adsorption in Thiophene-Based Cyclo-1,4-phenylene-2′,5′-thienylenes Using First-Principles-derived Force Field
inferred← citeshttps://doi.org/10.1021/acs.jpcc.5c03942openalex-snapshot
Simulation of CO2 Adsorption on Pristine and Lithium-Decorated Few-Layers Graphene: Insights from Grand Canonical Monte Carlo Simulations
inferred← citeshttps://doi.org/10.1021/acs.jpcc.6b01119openalex-snapshot
Improving Carbon Dioxide Storage Capacity of Metal Organic Frameworks by Lithium Alkoxide Functionalization: A Molecular Simulation Study
inferred← citeshttps://doi.org/10.1021/acs.jpcc.8b03112openalex-snapshot
Ab Initio Study of Gas Adsorption in Metal–Organic Frameworks Modified by Lithium: The Significant Role of Li-Containing Functional Groups
inferred← citeshttps://doi.org/10.1021/acs.jpcc.8b05334openalex-snapshot
Computational Screening of Alkali, Alkaline Earth, and Transition Metals Alkoxide-Functionalized Metal–Organic Frameworks for CO2 Capture
inferred← citeshttps://doi.org/10.1021/acs.jpclett.2c03657openalex-snapshot
Enhance Hydrogen Isotopes Separation by Alkali Earth Metal Dopant in Metal–Organic Framework
inferred← citeshttps://doi.org/10.1021/acs.langmuir.6c02668openalex-snapshot
A Computational Study of Alkali Metal-Anchored 3D-COFs for Efficient CO2 Capture and Separation: Effects of Metal Type and Concentration
inferred← citeshttps://doi.org/10.1021/acs.nanolett.7b04981openalex-snapshot
Highly Surface-Active Ca(OH)2Monolayer as a CO2Capture Material
inferred← citeshttps://doi.org/10.1021/acsami.7b10836openalex-snapshot
Porous Carbon Materials Based on Graphdiyne Basis Units by the Incorporation of the Functional Groups and Li Atoms for Superior CO2 Capture and Sequestration
inferred← citeshttps://doi.org/10.1021/acsami.8b03358openalex-snapshot
Controlling Pore Shape and Size of Interpenetrated Anion-Pillared Ultramicroporous Materials Enables Molecular Sieving of CO2 Combined with Ultrahigh Uptake Capacity
inferred← citeshttps://doi.org/10.1021/acsami.8b08496openalex-snapshot
Loading across the Periodic Table: Introducing 14 Different Metal Ions To Enhance Metal–Organic Framework Performance
inferred← citeshttps://doi.org/10.1021/acsami.9b08487openalex-snapshot
Trends in Solid Adsorbent Materials Development for CO 2 Capture
inferred← citeshttps://doi.org/10.1021/acsapm.4c03540openalex-snapshot
Alkali Metal-Functionalized Covalent Organic Frameworks for CO2 Adsorption and CO2/N2 Separation
inferred← citeshttps://doi.org/10.1021/acssensors.4c02955openalex-snapshot
Room-Temperature CO 2 Monitoring Platform Enabled by Alkali Metal Functionalization of a Mg-MOF-74-Based QCM Sensor
inferred← citeshttps://doi.org/10.1021/acssensors.5c01547openalex-snapshot
Exploration of the Gas Adsorption/Selection Behavior and Its Doping Regulation Strategy of COFs for Improved Gas-Sensing Performance
inferred← citeshttps://doi.org/10.1021/acssuschemeng.1c02696openalex-snapshot
Identifying Promising Covalent-Organic Frameworks for Decarburization and Desulfurization from Biogas via Computational Screening
inferred← citeshttps://doi.org/10.1021/am500057zopenalex-snapshot
Amide Functionalized Microporous Organic Polymer (Am-MOP) for Selective CO2 Sorption and Catalysis
inferred← citeshttps://doi.org/10.1021/cg3003349openalex-snapshot
Synthesis and Characterization of Two- and Three-Dimensional Calcium Coordination Polymers Built with Benzene-1,3,5-tricarboxylate and/or Pyrazine-2-carboxylate
inferred← citeshttps://doi.org/10.1021/es505590jopenalex-snapshot
RETRACTED: Adsorption and Desorption of U(VI) on Functionalized Graphene Oxides: A Combined Experimental and Theoretical Study
inferred← citeshttps://doi.org/10.1021/jacs.6b10316openalex-snapshot
Metalation of a Mesoporous Three-Dimensional Covalent Organic Framework
inferred← citeshttps://doi.org/10.1021/jp201578popenalex-snapshot
Molecular and Ionic Interaction with Graphene Nanoflakes: A Computational Investigation of CO2, H2O, Li, Mg, Li+, and Mg2+Interaction with Polycyclic Aromatic Hydrocarbons
inferred← citeshttps://doi.org/10.1021/jp2016853openalex-snapshot
Doping of Calcium in C60 Fullerene for Enhancing CO2 Capture and N2O Transformation: A Theoretical Study
inferred← citeshttps://doi.org/10.1021/jp203599gopenalex-snapshot
Viability of Clathrate Hydrates as CO2 Capturing Agents: A Theoretical Study
inferred← citeshttps://doi.org/10.1021/jp210975xopenalex-snapshot
Hydrogen Storage in Novel Li-Doped Corrole Metal-Organic Frameworks
inferred← citeshttps://doi.org/10.1021/jp211280mopenalex-snapshot
Prediction of Structure and Properties of Boron-Based Covalent Organic Frameworks by a First-Principles Derived Force Field
inferred← citeshttps://doi.org/10.1021/jp300137eopenalex-snapshot
Postsynthetic Lithium Modification of Covalent-Organic Polymers for Enhancing Hydrogen and Carbon Dioxide Storage
inferred← citeshttps://doi.org/10.1021/jp301375sopenalex-snapshot
Theoretical Hydrogen Cryostorage in Doped MIL-101(Cr) Metal–Organic Frameworks
inferred← citeshttps://doi.org/10.1021/jp3018875openalex-snapshot
Functional Group Modification of Metal–Organic Frameworks for CO2 Capture
inferred← citeshttps://doi.org/10.1021/jp302175dopenalex-snapshot
Effect of Li Doping on Diffusion and Separation of Hydrogen and Methane in Covalent Organic Frameworks
inferred← citeshttps://doi.org/10.1021/jp307865nopenalex-snapshot
Accurate Ab Initio-Based Force Field for Predictive CO2 Uptake Simulations in MOFs and ZIFs: Development and Applications for MTV-MOFs
inferred← citeshttps://doi.org/10.1021/jp308751xopenalex-snapshot
Interpenetration of Metal Organic Frameworks for Carbon Dioxide Capture and Hydrogen Purification: Good or Bad?
inferred← citeshttps://doi.org/10.1021/jp402488ropenalex-snapshot
Carbon Dioxide Capture by PAFs and an Efficient Strategy To Fast Screen Porous Materials for Gas Separation
inferred← citeshttps://doi.org/10.1021/jp503255gopenalex-snapshot
Adsorption and Separation of Xe in Metal–Organic Frameworks and Covalent–Organic Materials
inferred← citeshttps://doi.org/10.1021/jp5128404openalex-snapshot
From Inorganic to Organic Strategy To Design Porous Aromatic Frameworks for High-Capacity Gas Storage
inferred← citeshttps://doi.org/10.1021/la403864uopenalex-snapshot
Strategies toward Enhanced Low-Pressure Volumetric Hydrogen Storage in Nanoporous Cryoadsorbents
inferred← citeshttps://doi.org/10.1039/9781839163456-00226openalex-snapshot
Covalent Organic Frameworks
inferred← citeshttps://doi.org/10.1039/9781839169656-00382openalex-snapshot
Computational Insights of Dimensional Organic Materials
inferred← citeshttps://doi.org/10.1039/c0ee00049copenalex-snapshot
Multiscale simulation and modelling of adsorptive processes for energy gas storage and carbon dioxide capture in porous coordination frameworks
inferred← citeshttps://doi.org/10.1039/c0jm02891fopenalex-snapshot
Covalent organic frameworks for extremely high reversible CO 2 uptake capacity: a theoretical approach
inferred← citeshttps://doi.org/10.1039/c1cp21673bopenalex-snapshot
Microporous carbon adsorbents with high CO2 capacities for industrial applications
inferred← citeshttps://doi.org/10.1039/c1jm10264hopenalex-snapshot
Computer simulations for the adsorption and separation of CO2/CH4/H2/N2 gases by UMCM-1 and UMCM-2 metal organic frameworks
inferred← citeshttps://doi.org/10.1039/c2cs35157aopenalex-snapshot
Covalent organic frameworks
inferred← citeshttps://doi.org/10.1039/c2ee21653aopenalex-snapshot
Superior CO2 uptake of N-doped activated carbon through hydrogen-bonding interaction
inferred← citeshttps://doi.org/10.1039/c2jm35446bopenalex-snapshot
Covalent-organic polymers for carbon dioxide capture
inferred← citeshttps://doi.org/10.1039/c2ta00063fopenalex-snapshot
Porous covalent–organic materials: synthesis, clean energy application and design
inferred← citeshttps://doi.org/10.1039/c2ta00616bopenalex-snapshot
Novel lithium-loaded porous aromatic framework for efficient CO 2 and H 2 uptake
inferred← citeshttps://doi.org/10.1039/c3cc47462copenalex-snapshot
Assembly of a unique octa-nuclear copper cluster-based metal–organic framework with highly selective CO2 adsorption over N2 and CH4
inferred← citeshttps://doi.org/10.1039/c3cp50517kopenalex-snapshot
Microporous organic polymers for gas storage and separation applications
inferred← citeshttps://doi.org/10.1039/c3cs60244copenalex-snapshot
Metal–organic frameworks for upgrading biogas via CO2 adsorption to biogas green energy
inferred← citeshttps://doi.org/10.1039/c3dt32713bopenalex-snapshot
Accuracy of density functional theory in the prediction of carbon dioxide adsorbent materials
inferred← citeshttps://doi.org/10.1039/c3dt52266kopenalex-snapshot
Porous coordination polymers based on functionalized Schiff base linkers: enhanced CO 2 uptake by pore surface modification
inferred← citeshttps://doi.org/10.1039/c3ee42799dopenalex-snapshot
ZIF-derived in situ nitrogen-doped porous carbons as efficient metal-free electrocatalysts for oxygen reduction reaction
inferred← citeshttps://doi.org/10.1039/c3ra47429aopenalex-snapshot
Effects of substituent groups on methane adsorption in covalent organic frameworks
inferred← citeshttps://doi.org/10.1039/c3ta10292kopenalex-snapshot
A porous diamond carbon framework: a new carbon allotrope with extremely high gas adsorption and mechanical properties
inferred← citeshttps://doi.org/10.1039/c3ta11205eopenalex-snapshot
Selective adsorption of olefin–paraffin on diamond-like frameworks: diamondyne and PAF-302
inferred← citeshttps://doi.org/10.1039/c3ta13073hopenalex-snapshot
Recent developments in first-principles force fields for molecules in nanoporous materials
inferred← citeshttps://doi.org/10.1039/c3ta13194gopenalex-snapshot
A novel nitrogen rich porous aromatic framework for hydrogen and carbon dioxide storage
inferred← citeshttps://doi.org/10.1039/c3ta14973kopenalex-snapshot
A DIH-based equation for separation of CO2–CH4 in metal–organic frameworks and covalent–organic materials
inferred← citeshttps://doi.org/10.1039/c3ta15062copenalex-snapshot
Tetrahedral node diamondyne frameworks for CO2 adsorption and separation
inferred← citeshttps://doi.org/10.1039/c4cp03809fopenalex-snapshot
Promoting alkali and alkaline-earth metals on MgO for enhancing CO 2 capture by first-principles calculations
inferred← citeshttps://doi.org/10.1039/c4dt03379eopenalex-snapshot
Discrete and polymeric cobalt organophosphates: isolation of a 3-D cobalt phosphate framework exhibiting selective CO 2 capture
inferred← citeshttps://doi.org/10.1039/c4mh00163jopenalex-snapshot
Great Prospects for PAF-1 and its derivatives
inferred← citeshttps://doi.org/10.1039/c4ta00475bopenalex-snapshot
ZIF-derived porous carbon: a promising supercapacitor electrode material
inferred← citeshttps://doi.org/10.1039/c4ta02692fopenalex-snapshot
Design of tetraphenyl silsesquioxane based covalent-organic frameworks as hydrogen storage materials
inferred← citeshttps://doi.org/10.1039/c4ta03854aopenalex-snapshot
A Facile fabrication of mesoporous core–shell CaO-Based pellets with enhanced reactive stability and resistance to attrition in cyclic CO 2 capture
inferred← citeshttps://doi.org/10.1039/c4ta06829gopenalex-snapshot
Strategies to enhance CO 2 capture and separation based on engineering absorbent materials
inferred← citeshttps://doi.org/10.1039/c5dt01976aopenalex-snapshot
Regulation of the pore size by shifting the coordination sites of ligands in two MOFs: enhancement of CO 2 uptake and selective sensing of nitrobenzene
inferred← citeshttps://doi.org/10.1039/c5ra02251gopenalex-snapshot
Synthesis of conjugated covalent organic frameworks/graphene composite for supercapacitor electrodes
inferred← citeshttps://doi.org/10.1039/c5ra09876aopenalex-snapshot
Multiple CO 2 capture in stable metal-doped graphene: a theoretical trend study
inferred← citeshttps://doi.org/10.1039/c5ra24933copenalex-snapshot
Predicting 1,3,5,7-tetrakis(4-aminophenyl)adamantine based covalent-organic frameworks as hydrogen storage materials
inferred← citeshttps://doi.org/10.1039/c6cs00597gopenalex-snapshot
Nanoporous ionic organic networks: from synthesis to materials applications
inferred← citeshttps://doi.org/10.1039/c6ta09234aopenalex-snapshot
Carbon dioxide capture in amorphous porous organic polymers
inferred← citeshttps://doi.org/10.1039/c7ce01647fopenalex-snapshot
CO 2 adsorption and separation in covalent organic frameworks with interlayer slipping
inferred← citeshttps://doi.org/10.1039/c7ce02079aopenalex-snapshot
Covalent organic frameworks (COFs): perspectives of industrialization
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