articleThe Journal of Physical Chemistry CJan 27, 2026Closed access

Band-like Optical Signatures of Ti 3 C 2 T x MXenes

California University of Pennsylvania · Purdue University West Lafayette · +3 more institutions

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Abstract

MXenes have shown great potential in electronic and optoelectronic applications. However, the optical properties of these highly conductive two-dimensional materials are not fully understood. The broad near-infrared (IR) optical extinction (∼1.5 eV) in Ti3C2Tx with mixed terminations (Tx: ═O, −OH, −F, −Cl) has been widely attributed to a localized surface plasmon resonance (LSPR). However, previous simulations suggest this peak may be due to an interband transition (IBT). Here, we show that the real component of the dielectric constant of Ti3C2Tx at this peak is positive (ε1 > 0), as measured by spectroscopic ellipsometry (SE), ruling out the possibility of LSPR. Moreover, this band nearly vanishes for…

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Topics & keywords

Keywords
  • MXenes
  • Density functional theory
  • Surface plasmon resonance
  • Dielectric
  • Plasmon
  • Surface plasmon
  • Time-dependent density functional theory
  • Ellipsometry
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