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Proton (¹H) NMR: Chemical Shift01:07

Proton (¹H) NMR: Chemical Shift

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Intrinsic semiconductors are highly pure materials with no impurities. At absolute zero, these semiconductors behave as perfect insulators because all the valence electrons are bound, and the conduction band is empty, disallowing electrical conduction. The Fermi level is a concept used to describe the probability of occupancy of energy levels by electrons at thermal equilibrium. In intrinsic semiconductors, the Fermi level is positioned at the midpoint of the energy gap at absolute zero. When...
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How Proton Incorporation Reshapes Lattice Dynamics In BaSnO3-Type Proton Conductors.

Artur Braun1, Alexey Rulev1, Nobumoto Nagasawa2

  • 1Laboratory for High Performance Ceramics, Empa, Swiss Federal Institutes of Technology, Dübendorf, Switzerland.

Advanced Science (Weinheim, Baden-Wurttemberg, Germany)
|June 15, 2026
PubMed
Summary
This summary is machine-generated.

Proton conduction in perovskites involves dynamic co-vibration of protons with the lattice, not independent movement. Nuclear resonance vibrational spectroscopy reveals how proton defects influence lattice dynamics for transport.

Keywords:
NRVSlattice dynamicsphonon dosproton conductorproton–phonon coupling

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Area of Science:

  • Materials Science
  • Solid-State Chemistry
  • Spectroscopy

Background:

  • Proton conduction in acceptor-doped perovskites is crucial for applications like fuel cells.
  • Understanding the fundamental mechanism of proton transport, specifically proton-lattice interactions, is key.

Purpose of the Study:

  • To provide direct experimental evidence for the vibronic nature of proton conduction in perovskites.
  • To investigate the dynamic coupling between protons and the host lattice using advanced spectroscopic techniques.

Main Methods:

  • In situ 119Sn nuclear resonance vibrational spectroscopy (NRVS) was employed.
  • Experiments were conducted on hydrated, deuterated, and dry BaSn1-xYxO3-δ samples.

Main Results:

  • Hydration caused significant changes in the Sn-projected phonon density of states (PDOS), indicating lattice stiffening.
  • Isotopic substitution (H/D) showed minimal impact on the Sn-projected PDOS, suggesting protons are part of collective modes.
  • A coupled proton-phonon oscillator model successfully explained the observed PDOS variations.

Conclusions:

  • Proton and deuteron movement is dynamically coupled with the lattice framework, not independent.
  • NRVS is a powerful tool for probing proton-lattice coupling in ceramic proton conductors.
  • Protonic defects modulate lattice dynamics, enabling phonon-assisted proton transport.