Photoexcited charge carrier dynamics and electronic properties of two-dimensional MXene, Nb2CT x

Author:

Fitzgerald Andrew MORCID,Sutherland EmilyORCID,El-Melegy Tarek Ali,Hassig Mary Qin,Martin Julia LORCID,Colin-Ulloa ErikaORCID,Ngo Ken,Grimm Ronald LORCID,Uzarski Joshua RORCID,Barsoum Michel WORCID,Deskins N AaronORCID,Titova Lyubov VORCID,Friedman Kateryna KushnirORCID

Abstract

Abstract Two-dimensional, 2D, niobium carbide MXene, Nb2CT x , has attracted attention due to its extraordinarily high photothermal conversion efficiency that has applications ranging from medicine, for tumor ablation, to solar energy conversion. Here, we characterize its electronic properties and investigate the ultrafast dynamics of its photoexcitations with a goal of shedding light onto the origins of its unique properties. Through density functional theory, DFT, calculations, we find that Nb2CT x is metallic, with a small but finite DOS at the Fermi level for all experimentally relevant terminations that can be achieved using HF or molten salt etching of the parent MAX phase, including –OH, –O, –F, –Cl, –Br, –I. In agreement with this prediction, THz spectroscopy reveals an intrinsic long-range conductivity of ∼60 Ω−1 cm−1, with significant charge carrier localization and a charge carrier density (∼1020 cm−3) comparable to Mo-based MXenes. Excitation with 800 nm pulses results in a rapid enhancement in photoconductivity, which decays to less than 25% of its peak value within several picoseconds, underlying efficient photothermal conversion. At the same time, a small fraction of photoinjected excess carriers persists for hundreds of picoseconds, and can potentially be utilized in photocatalysis or other energy conversion applications.

Funder

NSF

US Army

Publisher

IOP Publishing

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