Polaron spin echo envelope modulations in an organic semiconducting polymer

TL;DR

This paper presents a theoretical approach to analyze electron spin echo spectra in organic semiconducting polymers, proposing methods to distinguish hyperfine and dipolar interactions and linking decay effects to polaron transport.

Contribution

It introduces a novel method to selectively detect contact hyperfine interactions in polaron ESEEM spectra and connects decay analysis to polaron transport properties.

Findings

Distinct contributions of hyperfine and dipolar interactions identified

Proposed a recipe for selective probing of hyperfine interactions

Linked ESEEM decay to polaron transport properties

Abstract

Theoretical treatment of the electron spin echo envelope modulation (ESEEM) spectra from polarons in a semiconducting $\pi$- conjugated polymer is presented. The contact hyperfine coupling and the dipolar interaction between the polaron and proton spins are found to have distinct contributions in the ESEEM spectra. However, since the two contributions are spaced very closely, and the dipolar contribution is dominant, the detection of the contact hyperfine interaction is difficult. To resolve this problem, a recipe of probing the contact hyperfine and dipolar interactions selectively is proposed, and a method for detecting the polaron contact hyperfine interaction is formulated. The ESEEM decay due to the polaron random hopping is analyzed, and the robustness of the method against this decay is verified. Moreover, this decay is linked to the transport properties of polarons, providing an auxiliary probe for the polaron transport.