Study of the ionic liquids' electrochemical reduction using experimental and computational methods

Article Engineering, Environmental

Use of an optofluidic microreactor and Cu nanoparticles synthesized in ionic liquid and embedded in TiO2 for an efficient photoreduction of CO2 to methanol

Jonathan Albo et al.

Summary: The study achieved continuous conversion of CO2 into methanol using Cu nanoparticles synthesized in TiO2 photocatalyst in an optofluidic microreactor, outperforming previous Cu/TiO2-based systems and common CO2 photoreactors.

CHEMICAL ENGINEERING JOURNAL (2021)

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Article Chemistry, Multidisciplinary

Electrical Double-Layer Capacitors Based on a Ternary Ionic Liquid Electrolyte Operating at Low Temperature with Realistic Gravimetric and Volumetric Energy Outputs

Emmanuel Pamete Yambou et al.

Summary: The electrical double-layer capacitors (EDLCs) performed effectively at low temperatures (-40°C) due to the tuned characteristics of the ionic liquid (IL) electrolyte and carbonaceous electrodes. The formulated ternary electrolyte showed low viscosity and high conductivity, remaining in a liquid state until it reached the glass transition at -99°C. Carbon electrodes with well-defined mesopores facilitated ion transport and high volumetric energy outputs of the cells.

CHEMSUSCHEM (2021)

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Article Engineering, Environmental

High-efficient CO2 electrocatalysis over nanoporous Au film enabled by a combined pore engineering and ionic liquid-mediated approach

Min Zeng et al.

Summary: Electrochemical reduction of CO2 in ionic liquid-based electrolytes with a nanoporous Au film electrode in combination with EMIMBF4 ionic liquid-based binary electrolyte shows increased CO2 reduction activity and selectivity. The use of EMIMBF4 ionic liquid enhances both the CO2 reduction activity and selectivity, achieving high Faradaic efficiency and mass activity for CO production at -0.55 V (vs RHE) in ionic liquid/water electrolyte.

CHEMICAL ENGINEERING JOURNAL (2021)

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Review Biochemistry & Molecular Biology

Elucidation of the Roles of Ionic Liquid in CO2 Electrochemical Reduction to Value-Added Chemicals and Fuels

Sulafa Abdalmageed Saadaldeen Mohammed et al.

Summary: The electrochemical reduction of carbon dioxide (CO2ER) is a promising technology to reduce greenhouse gas emissions, with recent focus on its application in ionic liquids (ILs). New insights based on molecular interactions of ILs and their physicochemical properties have been presented, opening possibilities for the utilization of new types of ionic liquids. Additionally, the roles of anions, cations, and electrodes in CO2ER reactions have been reviewed.

MOLECULES (2021)

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Article Chemistry, Physical

Thermodynamic analysis using COSMO-RS studies of reversible ionic liquid 3-aminopropyl triethoxysilane blended with amine activators for CO2 absorption

Sweta Balchandani et al.

Summary: The non-linearity in the CO2 absorption process in novel aqueous blends of TESA and amine activators AEP and APA was studied using the COSMO-RS method, with energy estimations for each molecule conducted using Turbomole. Analysis of suitable CO2 absorption compounds was done based on sigma potential and sigma surface trends. The blends showed significant potential for CO2 absorption, with the best solvent identified as aq. (TESA + APA).

JOURNAL OF MOLECULAR LIQUIDS (2021)

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Review Chemistry, Multidisciplinary

Recent Advance in Ionic-Liquid-Based Electrolytes for Rechargeable Metal-Ion Batteries

Wenjun Zhou et al.

Summary: Battery energy storage systems have played a significant role in the informatization, mobility, and intellectualization of modern human society. Electrolytes, as a crucial component in batteries, play a key role in the advancement of battery technology. Room-temperature ionic liquids, with excellent properties, show great potential in enhancing battery performance.

ADVANCED SCIENCE (2021)

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Article Chemistry, Physical

Theoretical Investigation of the Na+ Transport Mechanism and the Performance of Ionic Liquid-Based Electrolytes in Sodium-Ion Batteries

Tuanan C. Lourenco et al.

Summary: Ionic liquids show promise as a substitute for common organic electrolytes in sodium-ion batteries due to their unique physical and chemical properties. A theoretical investigation combining classical molecular dynamics simulations and density functional theory calculations was conducted on 25 different ionic liquids, revealing that aggregation of Na+ ions is caused by interactions with anions and leads to improved Na+ transport. Additionally, the electrochemical windows of these systems were estimated to exceed 4.0 eV, indicating their potential for electrolyte applications.

ACS APPLIED ENERGY MATERIALS (2021)

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Article Chemistry, Physical

Electrochemical stability windows of Ali-cyclic ionic liquids as lithium metal battery Electrolytes: A computational approach

L. Maftoon-Azad

Summary: The electrochemical stability of hetero-alicyclic ionic-liquids in lithium metal batteries was computationally studied, revealing different redox properties among the twelve substances, with phosphorus and arsenicum-based cations showing potential for decomposition. The investigation of HOMO-LUMO energies and other molecular orbital parameters further confirmed these findings.

JOURNAL OF MOLECULAR LIQUIDS (2021)

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Article Chemistry, Physical

COSMO-RS prediction and experimental investigation of amino acid ionic liquid-based deep eutectic solvents for copper removal

Choi Yee Foong et al.

Summary: The study found that the electrospun membrane combined with deep eutectic solvent performed well in removing copper (II) ions, with high permeability and removal efficiency. Experimental results showed that the 1:2 molar ratio of choline hydroxide and glycine as a deep eutectic solvent performed the best, with a copper (II) removal rate of up to 80%.

JOURNAL OF MOLECULAR LIQUIDS (2021)

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Article Biochemistry & Molecular Biology

Cation-Anion Interactions, Stability, and IR Spectra of Dicationic Amino Acid-Based Ionic Liquids Probed Using Density Functional Theory

Muraledharan Shyama et al.

Summary: The dicationic ionic liquids (DILs) constructed from geminal methylimidazolium dication with varying amino acid anions exhibit high stability, large surface tension, and are chemically non-toxic. These DILs can replace inorganic DILs due to their higher thermal stability compared to mono analogues.

JOURNAL OF MOLECULAR MODELING (2021)

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Article Chemistry, Physical

Comparison of the Performances of Different Computational Methods to Calculate the Electrochemical Stability of Selected Ionic Liquids

Annalisa Paolone et al.

Summary: The electrochemical stability windows (ESW) of selected ionic liquids have been calculated using different computational approaches, and it was found that calculations on single ions with the MP2 functional in vacuum and with adiabatic transitions provide the best quantitative agreement. The B3LYP functional underestimates the ESW, and the inclusion of a polar medium excessively widens the ESW, while a large shrinkage of the ESW is obtained by adopting an adiabatic transition scheme instead of a vertical transition one.

MATERIALS (2021)

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Article Chemistry, Multidisciplinary

Ionic Liquid-Based Dye-Sensitized Solar Cells-Insights into Electrolyte and Redox Mediator Design

Guillaume Bousrez et al.

Summary: The study found that 1,3-dialkyltriazolium iodides exhibit high chemical and thermal stability, with significant changes in electrolyte properties upon addition of different iodine content, where iodine addition usually leads to a decrease in melting point and an increase in conductivity. Compared to imidazolium iodides, triazolium compounds show higher efficiency and longer battery life, possibly due to their non-hygroscopic nature.

ACS SUSTAINABLE CHEMISTRY & ENGINEERING (2021)

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Article Multidisciplinary Sciences

Synthesis, characterization and application of a non-flammable dicationic ionic liquid in lithium-ion battery as electrolyte additive

Kajari Chatterjee et al.

SCIENTIFIC REPORTS (2020)

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Review Green & Sustainable Science & Technology

Ionic Liquids Roles and Perspectives in Electrolyte for Dye-Sensitized Solar Cells

Ruwaida Asyikin Abu Talip et al.

SUSTAINABILITY (2020)

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Article Materials Science, Multidisciplinary

Identifying suitable ionic liquid electrolytes for Al dual-ion batteries: role of electrochemical window, conductivity and voltage

Surya Sekhar Manna et al.

MATERIALS ADVANCES (2020)

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Article Chemistry, Physical

Kinetic stability of imidazolium cations and ionic liquids: A frontier molecular orbital approach

Eapen Thomas et al.

JOURNAL OF MOLECULAR LIQUIDS (2019)

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Article Chemistry, Physical

Discussion on Operational Voltage and Efficiencies of Ionic-Liquid-Based Electrochemical Capacitors

Mayara C. G. Santos et al.

JOURNAL OF PHYSICAL CHEMISTRY C (2019)

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Article Chemistry, Physical

Pyrrolidinium-based ionic liquids as electrolytes for lithium batteries: A Computational Study

Suseeladevi Asha et al.

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY (2019)

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Article Chemistry, Physical

Computational Investigation of Mixed Anion Effect on Lithium Coordination and Transport in Salt Concentrated Ionic Liquid Electrolytes

Fangfang Chen et al.

JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2019)

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Article Chemistry, Multidisciplinary

Phenanthro[9,10-d]triazole and imidazole derivatives: high triplet energy host materials for blue phosphorescent organic light emitting devices

Muazzam Idris et al.

MATERIALS HORIZONS (2019)

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Review Chemistry, Multidisciplinary

Advances in sodium secondary batteries utilizing ionic liquid electrolytes

Kazuhiko Matsumoto et al.

ENERGY & ENVIRONMENTAL SCIENCE (2019)

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Article Chemistry, Physical

Investigation of the conduction properties of ionic liquid crystal electrolyte used in dye sensitized solar cells

R. Atasiei et al.

JOURNAL OF MOLECULAR LIQUIDS (2018)

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Article Chemistry, Physical

Thermal, electrochemical and radiolytic stabilities of ionic liquids

Zhimin Xue et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2018)

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Article Chemistry, Physical

Directing the Outcome of CO2 Reduction at Bismuth Cathodes Using Varied Ionic Liquid Promoters

Abderrahman Atifi et al.

ACS CATALYSIS (2018)

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Article Chemistry, Multidisciplinary

Electrochemical potential window of battery electrolytes: the HOMO-LUMO misconception

Pekka Peljo et al.

ENERGY & ENVIRONMENTAL SCIENCE (2018)

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Review Chemistry, Physical

Recent progress in advanced electrode materials, separators and electrolytes for lithium batteries

Hailin Zhang et al.

JOURNAL OF MATERIALS CHEMISTRY A (2018)

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Article Chemistry, Physical

Stable and Efficient Organic Dye-Sensitized Solar Cell Based on Ionic Liquid Electrolyte

Peng Wang et al.

JOULE (2018)

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Article Chemistry, Physical

Effect of low water content in protic ionic liquid on ions electrosorption in porous carbon: application to electrochemical capacitors

B. Gorska et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2017)

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Article Chemistry, Multidisciplinary

Efficient Photoelectrochemical Reduction of Carbon Dioxide to Formic Acid: A Functionalized Ionic Liquid as an Absorbent and Electrolyte

Weiwei Lu et al.

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2017)

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Review Chemistry, Multidisciplinary

Ionic-Liquid-Based Polymer Electrolytes for Battery Applications

Irene Osada et al.

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2016)

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Article Thermodynamics

COSMO-RS for aqueous solvation and interfaces

Andreas Klamt

FLUID PHASE EQUILIBRIA (2016)

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Article Chemistry, Physical

Electrochemical Stability Window of Imidazolium-Based Ionic Liquids as Electrolytes for Lithium Batteries

Saeed Kazemiabnavi et al.

JOURNAL OF PHYSICAL CHEMISTRY B (2016)

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Article Chemistry, Physical

Chemical and Radiation Stability of Ionic Liquids: A Computational Screening Study

Niranjan V. Ilawe et al.

JOURNAL OF PHYSICAL CHEMISTRY C (2016)

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Article Chemistry, Multidisciplinary

The electrochemical stability of ionic liquids and deep eutectic solvents

Qingbo Li et al.

SCIENCE CHINA-CHEMISTRY (2016)

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Article Engineering, Chemical

Prediction of Solubilities and Partition Coefficients in Polymers Using COSMO-RS

Christoph Loschen et al.

INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH (2014)

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Article Chemistry, Physical

Refined Method for Predicting Electrochemical Windows of Ionic Liquids and Experimental Validation Studies

Yong Zhang et al.

JOURNAL OF PHYSICAL CHEMISTRY B (2014)

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Article Chemistry, Physical

Wide electrochemical window ionic salt for use in electropositive metal electrodeposition and solid state Li-ion batteries

Sankaran Murugesan et al.

JOURNAL OF MATERIALS CHEMISTRY A (2014)

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Article Chemistry, Multidisciplinary

Investigating the electrochemical windows of ionic liquids

Maan Hayyan et al.

JOURNAL OF INDUSTRIAL AND ENGINEERING CHEMISTRY (2013)

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Article Chemistry, Multidisciplinary

Semiconducting carbon nanotube and covalent organic polyhedron-C60 nanohybrids for light harvesting

Jessica Lohrman et al.

CHEMICAL COMMUNICATIONS (2012)

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Article Engineering, Chemical

Sifting Ionic Liquids as Additives for Separation of Acetonitrile and Water Azeotropic Mixture Using the COSMO-RS Method

Jinlong Li et al.

INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH (2012)

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Article Chemistry, Physical

Electrochemical Windows of Room-Temperature Ionic Liquids from Molecular Dynamics and Density Functional Theory Calculations

Shyue Ping Ong et al.

CHEMISTRY OF MATERIALS (2011)

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Article Chemistry, Physical

Electrochemistry of room temperature protic ionic liquids

Chuan Zhao et al.

JOURNAL OF PHYSICAL CHEMISTRY B (2008)

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Article Chemistry, Organic

Practical methylation procedure for (1H)-1,2,4-triazole

John L. Belletire et al.

SYNTHETIC COMMUNICATIONS (2008)

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Article Chemistry, Physical

Protic ionic liquids: Solvents with tunable phase behavior and physicochemical properties

Tamar L. Greaves et al.

JOURNAL OF PHYSICAL CHEMISTRY B (2006)

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Review Electrochemistry

Ionic liquids as electrolytes

Maciej Galinski et al.

ELECTROCHIMICA ACTA (2006)

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Article Chemistry, Physical

Electrochemistry at negative potentials in bis(trifluoromethanesulfonyl)amide ionic liquids

Patrick C. Howlett et al.

ZEITSCHRIFT FUR PHYSIKALISCHE CHEMIE-INTERNATIONAL JOURNAL OF RESEARCH IN PHYSICAL CHEMISTRY & CHEMICAL PHYSICS (2006)

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Review Chemistry, Inorganic & Nuclear

Room temperature ionic liquids of alkylimidazolium cations and fluoroanions

R Hagiwara et al.

JOURNAL OF FLUORINE CHEMISTRY (2000)

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Study of the ionic liquids' electrochemical reduction using experimental and computational methods

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