Adsorption of ions and solutes at electrified metal-aqueous interfaces: Insights from THz spectroscopy and simulations

Simone Pezzotti; Alessandra Serva; Christopher J. Stein; Martina Havenith

doi:10.1016/B978-0-323-85669-0.00092-1

Adsorption of ions and solutes at electrified metal-aqueous interfaces: Insights from THz spectroscopy and simulations

Simone Pezzotti, Alessandra Serva, Christopher J. Stein, Martina Havenith

Associate Professorship of Theoretical Chemistry

Research output: Chapter in Book/Report/Conference proceeding › Chapter › peer-review

Abstract

Adsorption of ions and hydrophobic molecules are ubiquitous and vital processes at electrochemical interfaces, which regulate the molecular composition of the interface and the chemistry therein. They are dictated by a subtle balance of free energy contributions from electrostatics, solute–surface interactions, and solvation. In this chapter, we target the most elusive solvation contributions. We review some recent progresses that have been made by developing advanced vibrational spectroscopy, with emphasis in the low frequency THz range, and computational techniques. We discuss some of the exciting perspectives that tuning hydrophobicity and solvation properties of metal-aqueous interfaces opens for the optimization of several electrochemical processes.

Original language	English
Title of host publication	Encyclopedia of Solid-Liquid Interfaces
Publisher	Elsevier
Pages	V1-66-V1-80
Volume	1-3
ISBN (Electronic)	9780323856690
DOIs	https://doi.org/10.1016/B978-0-323-85669-0.00092-1
State	Published - 1 Jan 2023

Keywords

Adsorption
DFT
Electrical double layer
Electrochemistry
Electronic structure calculations
Hydrophobicity
Metal-aqueous interfaces
Molecular dynamics
Solvation
THz spectroscopy

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10.1016/B978-0-323-85669-0.00092-1

Cite this

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abstract = "Adsorption of ions and hydrophobic molecules are ubiquitous and vital processes at electrochemical interfaces, which regulate the molecular composition of the interface and the chemistry therein. They are dictated by a subtle balance of free energy contributions from electrostatics, solute–surface interactions, and solvation. In this chapter, we target the most elusive solvation contributions. We review some recent progresses that have been made by developing advanced vibrational spectroscopy, with emphasis in the low frequency THz range, and computational techniques. We discuss some of the exciting perspectives that tuning hydrophobicity and solvation properties of metal-aqueous interfaces opens for the optimization of several electrochemical processes.",

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T2 - Insights from THz spectroscopy and simulations

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AU - Serva, Alessandra

AU - Stein, Christopher J.

AU - Havenith, Martina

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N2 - Adsorption of ions and hydrophobic molecules are ubiquitous and vital processes at electrochemical interfaces, which regulate the molecular composition of the interface and the chemistry therein. They are dictated by a subtle balance of free energy contributions from electrostatics, solute–surface interactions, and solvation. In this chapter, we target the most elusive solvation contributions. We review some recent progresses that have been made by developing advanced vibrational spectroscopy, with emphasis in the low frequency THz range, and computational techniques. We discuss some of the exciting perspectives that tuning hydrophobicity and solvation properties of metal-aqueous interfaces opens for the optimization of several electrochemical processes.

AB - Adsorption of ions and hydrophobic molecules are ubiquitous and vital processes at electrochemical interfaces, which regulate the molecular composition of the interface and the chemistry therein. They are dictated by a subtle balance of free energy contributions from electrostatics, solute–surface interactions, and solvation. In this chapter, we target the most elusive solvation contributions. We review some recent progresses that have been made by developing advanced vibrational spectroscopy, with emphasis in the low frequency THz range, and computational techniques. We discuss some of the exciting perspectives that tuning hydrophobicity and solvation properties of metal-aqueous interfaces opens for the optimization of several electrochemical processes.

KW - Adsorption

KW - DFT

KW - Electrical double layer

KW - Electrochemistry

KW - Electronic structure calculations

KW - Hydrophobicity

KW - Metal-aqueous interfaces

KW - Molecular dynamics

KW - Solvation

KW - THz spectroscopy

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M3 - Chapter

AN - SCOPUS:85191827165

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BT - Encyclopedia of Solid-Liquid Interfaces

PB - Elsevier

ER -

Adsorption of ions and solutes at electrified metal-aqueous interfaces: Insights from THz spectroscopy and simulations

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Keywords

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