Thiol-based defect healing of WSe2 and WS2

Publikation: Beitrag in FachzeitschriftForschungsartikelBeigetragenBegutachtung


  • Aviv Schwarz - , Tel Aviv University, Bar-Ilan University (Autor:in)
  • Hadas Alon-Yehezkel - , Bar-Ilan University (Autor:in)
  • Adi Levi - , Bar-Ilan University (Autor:in)
  • Rajesh Kumar Yadav - , Bar-Ilan University (Autor:in)
  • Koushik Majhi - , Bar-Ilan University (Autor:in)
  • Yael Tzuriel - , Bar-Ilan University (Autor:in)
  • Lauren Hoang - , Stanford University (Autor:in)
  • Connor S. Bailey - , Stanford University (Autor:in)
  • Thomas Brumme - , Professur für Theoretische Chemie, Universität Leipzig, Helmholtz-Zentrum Dresden-Rossendorf (Autor:in)
  • Andrew J. Mannix - , Stanford University (Autor:in)
  • Hagai Cohen - , Weizmann Institute of Science (Autor:in)
  • Eilam Yalon - , Technion-Israel Institute of Technology (Autor:in)
  • Thomas Heine - , Professur für Theoretische Chemie, Helmholtz-Zentrum Dresden-Rossendorf (Autor:in)
  • Eric Pop - , Stanford University (Autor:in)
  • Ori Cheshnovsky - , Tel Aviv University (Autor:in)
  • Doron Naveh - , Bar-Ilan University (Autor:in)


Recent research on two-dimensional (2D) transition metal dichalcogenides (TMDCs) has led to remarkable discoveries of fundamental phenomena and to device applications with technological potential. Large-scale TMDCs grown by chemical vapor deposition (CVD) are now available at continuously improving quality, but native defects and natural degradation in these materials still present significant challenges. Spectral hysteresis in gate-biased photoluminescence (PL) measurements of WSe2 further revealed long-term trapping issues of charge carriers in intrinsic defect states. To address these issues, we apply here a two-step treatment with organic molecules, demonstrating the “healing” of native defects in CVD-grown WSe2 and WS2 by substituting atomic sulfur into chalcogen vacancies. We uncover that the adsorption of thiols provides only partial defect passivation, even for high adsorption quality, and that thiol adsorption is fundamentally limited in eliminating charge traps. However, as soon as the molecular backbone is trimmed and atomic sulfur is released to the crystal, both bonds of the sulfur are recruited to passivate the divalent defect and the semiconductor quality improves drastically. Time-dependent X-ray photoelectron spectroscopy (XPS) is applied here together with other methods for the characterization of defects, their healing, leading energies and occupation. First-principles calculations support a unified picture of the electronic passivation of sulfur-healed WSe2 and WS2. This work provides a simple and efficient method for improving the quality of 2D semiconductors and has the potential to impact device performance even after natural degradation.


Fachzeitschriftnpj 2D materials and applications
PublikationsstatusVeröffentlicht - Dez. 2023

Externe IDs

WOS 001053706300001



  • Layer mos2, Photoluminescence, Enhancement, Electronics