Probing aqueous interfaces with spin defects

Fuente: arXiv
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Autori principali: Castillo, Alfonso, Perez-Lemus, Gustavo R., Onizhuk, Mykyta, Galli, Giulia
Natura: Preprint
Pubblicazione: 2025
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author Castillo, Alfonso
Perez-Lemus, Gustavo R.
Onizhuk, Mykyta
Galli, Giulia
author_facet Castillo, Alfonso
Perez-Lemus, Gustavo R.
Onizhuk, Mykyta
Galli, Giulia
contents Understanding the physical and chemical properties of aqueous interfaces is important in diverse fields of science, ranging from biology and chemistry to materials science. In spite of crucial progress in surface sensitive spectroscopic techniques over the past decades, the microscopic properties of aqueous interfaces remain difficult to measure. Here we explore the use of noise spectroscopy to characterize interfacial properties, specifically of quantum sensors hosted in two-dimensional materials in contact with water. We combine molecular dynamics simulations of water/graphene interfaces and the calculations of the spin dynamics of an NV-like color center, and we investigate the impact of interfacial water and simple ions on the decoherence time of the defect. We show that the Hahn echo coherence time of the NV center is sensitive to motional narrowing and to the hydrogen bonding arrangement and the dynamical properties of water and ions at the interface. We present results as a function of the liquid temperature, strength of the water-surface interaction, and for varied mono-valent and di-valent ions, highlighting the broad applicability of near-surface qubits to gain insight into the properties of aqueous interfaces.
format Preprint
id arxiv_https___arxiv_org_abs_2507_01220
institution arXiv
publishDate 2025
record_format arxiv
spellingShingle Probing aqueous interfaces with spin defects
Castillo, Alfonso
Perez-Lemus, Gustavo R.
Onizhuk, Mykyta
Galli, Giulia
Chemical Physics
Quantum Physics
Understanding the physical and chemical properties of aqueous interfaces is important in diverse fields of science, ranging from biology and chemistry to materials science. In spite of crucial progress in surface sensitive spectroscopic techniques over the past decades, the microscopic properties of aqueous interfaces remain difficult to measure. Here we explore the use of noise spectroscopy to characterize interfacial properties, specifically of quantum sensors hosted in two-dimensional materials in contact with water. We combine molecular dynamics simulations of water/graphene interfaces and the calculations of the spin dynamics of an NV-like color center, and we investigate the impact of interfacial water and simple ions on the decoherence time of the defect. We show that the Hahn echo coherence time of the NV center is sensitive to motional narrowing and to the hydrogen bonding arrangement and the dynamical properties of water and ions at the interface. We present results as a function of the liquid temperature, strength of the water-surface interaction, and for varied mono-valent and di-valent ions, highlighting the broad applicability of near-surface qubits to gain insight into the properties of aqueous interfaces.
title Probing aqueous interfaces with spin defects
topic Chemical Physics
Quantum Physics
url https://arxiv.org/abs/2507.01220