Solvation Structure and Dynamics of Alkali Metal Halides in an Ionic Liquid from Classical Molecular Dynamics Simulations

Solvation Structure and Dynamics of Alkali Metal Halides in an Ionic Liquid from Classical Molecular Dynamics Simulations

Bibliographic Details
Main Authors:	Rahul Gupta, Thejus R. Kartha, Bhabani S. Mallik
Format:	Article
Language:	English
Published:	American Chemical Society 2019-11-01
Series:	ACS Omega
Online Access:	https://doi.org/10.1021/acsomega.9b01672

Similar Items

Biosolvation Nature of Ionic Liquids: Molecular Dynamics Simulation of Methylated Nucleobases in Hydrated 1‑Ethyl-3-methylimidazolium Acetate
by: Sathish Dasari, et al.
Published: (2018-07-01)

Multiscale molecular simulations for the solvation of lignin in ionic liquids
by: Mood Mohan, et al.
Published: (2023-01-01)

Exploring Solvation Properties of Protic Ionic Liquids by Employing Solvatochromic Dyes and Molecular Dynamics Simulation Analysis
by: Stuart J. Brown, et al.
Published: (2024-03-01)

Interfacial nanostructure of solvate ionic liquids and ionic liquid solutions
by: Coles, S
Published: (2018)

Influence of alkali metals on water dynamics inside imidazolium-based ionic liquid nano-domains
by: Katarzyna Dziubinska-Kühn, et al.
Published: (2022-11-01)

Dynamic emission Stokes shift and liquid-like dielectric solvation of band edge carriers in lead-halide perovskites
by: Yinsheng Guo, et al.
Published: (2019-03-01)

Interstitial Voids and Resultant Density of Liquid Water: A First-Principles Molecular Dynamics Study
by: Sohag Biswas, et al.
Published: (2018-02-01)

PHOTODETACHMENT OF ELECTRONS FROM SOLVATED ALKALI-METAL ANIONS
by: Catterall, R, et al.
Published: (1980)

Electron localization and the nonmetal-metal transition in alkali-alkali halide solutions /
by: 322281 Akdeniz, Z., et al.
Published: (1995)

Halide in Molecular Dynamics
by: Gayle Jr., Ricardo
Published: (2023)

Probing the Effect of Aliphatic Ionic Liquids on Asphaltene Aggregation Using Classical Molecular Dynamics Simulations
by: Surabhi Aswath, et al.
Published: (2023-04-01)

Interaction of the model alkyltrimethylammonium ions with alkali halide salts: an explicit water molecular dynamics study
by: M. Druchok, et al.
Published: (2013-01-01)

Correlation between standard enthalpy of formation, structural parameters and ionicity for alkali halides
by: Nasar Abu
Published: (2013-01-01)

Solvation of hydrogen halides on the surface of ice
by: Robertson, S, et al.
Published: (1995)

Alkali Halide and MIBC Interaction at Typical Flotation Interfaces in Saline Water as Determined by Molecular Dynamics Simulations
by: Omar Alvarado, et al.
Published: (2023-05-01)

Alkali metal, alkaline-earth metal and ammonium halides. Amide solvents /
by: Scrosati, Bruno
Published: (1980)

Comparison of solvate ionic liquids and DMSO as an in vivo delivery and storage media for small molecular therapeutics
by: Prusothman Yoganantharajah, et al.
Published: (2018-05-01)

Ionic Conductivities of Molten Alkali Metal Chloride Binary Systems by Equilibrium Molecular Dynamics Simulation: Composition and Temperature Dependence
by: Jia WANG, et al.
Published: (2021-08-01)

Electrodeposition of alkali group I metals from room temperature ionic liquids
by: Wibowo, R
Published: (2011)

Molecular dynamics modeling of ionic liquids in electrospray propulsion
by: Takahashi, Nanako
Published: (2010)

Solvation Behavior of Cellulose and Xylan in the MIM/EMIMAc Ionic Liquid Solvent System: Parameters for Small-Scale Solvation
by: Susanne Bylin, et al.
Published: (2013-12-01)

F-centers in alkali halides /
by: 250315 Markham, Jordan J.
Published: (1966)

The Electron microscopy of alkali halides
by: Hobbs, L. W.
Published: (1972)

The nanostructure of a lithium glyme solvate ionic liquid at electrified interfaces
by: Coles, S, et al.
Published: (2017)

Density and Solvation Effects of Imidazolium Based Ionic Liquids in Propylene Carbonate
by: Anastasia V. Riabchunova, et al.
Published: (2018-12-01)

A Review of Solvate Ionic Liquids: Physical Parameters and Synthetic Applications
by: Daniel J. Eyckens, et al.
Published: (2019-04-01)

Photoprotection in metal halide perovskites by ionic defect formation
by: Phung, N, et al.
Published: (2022)

Active learning and neural network potentials accelerate molecular screening of ether-based solvate ionic liquids
by: Wang, Wujie, et al.
Published: (2020)

IONIC AND METALLIC CLUSTERS OF THE ALKALI-METALS IN ZEOLITE-Y
by: Harrison, M, et al.
Published: (1984)

The Group I Alkali Metals in Ionic Liquids: Electrodeposition and Determination of Their Kinetic and Thermodynamic Properties
by: Wibowo, R, et al.
Published: (2010)

Quantification of the interactions in halide-anion-based imidazolium ionic liquids
by: Deepak K. Pandey, et al.
Published: (2022-12-01)

A review on advances in doping with alkali metals in halide perovskite materials
by: Madeeha Tabassum, et al.
Published: (2021-11-01)

Phase behaviour and dynamics in primitive models of molecular ionic liquids
by: G.C. Ganzenmüller, et al.
Published: (2011-09-01)

Metal-halide systems: From molecular clusters to liquid-state structure
by: Mario P. Tosi
Published: (2015-03-01)

Electronic defect states in alkali halides : effects of interaction with molecular ions /
by: 377821 Dierolf, Volkmar
Published: (2003)

High CO2 absorption capacity of metal-based ionic liquids: A molecular dynamics study
by: Biwen Li, et al.
Published: (2021-04-01)

Poisson's ratios of alkali-halide crystals
by: V. N. Belomestnykh, et al.
Published: (2009-06-01)

Poisson's ratios of alkali-halide crystals
by: V. N. Belomestnykh, et al.
Published: (2009-06-01)

Bulk passivation of perovskite films utilizing halide anion ionic liquids
by: Adnan Alashkar, et al.
Published: (2023-11-01)

Interaction Mechanism between Cellobiose and Imidazolium Halide-based Ionic Liquids
by: Ling Yang, et al.
Published: (2023-01-01)