Erratum: Semimetal or semiconductor: The nature of high intrinsic electrical conductivity in TiS₂ (The Journal of Physical Chemistry Letters (2019) 10:22 (6996-7001) DOI: 10.1021/acs.jpclett.9b02710)

It is a regret that during the initial submission (on Jan. 15, 2019) of our manuscript to another ACS journal, there were two papers^1,2 published on the same topic, which have been unfortunately missed in our resubmission to J. Phys. Chem. Lett. In these two papers, GW calculation on the TiS₂ band gap has been reported. Also, the defect properties on Ti and S vacancies and Ti interstitial have been studied using the PBE0+D method with a 48-atom supercell, where the conclusion was that the Ti interstitial is the major defect in TiS₂. Also, in these new references, it has been pointed out that including dispersion force is critical for describing the atomic structure of TiS₂. In our paper, we have used scanning tunneling microscopy (STM) to directly measure the band gap of TiS₂ and observe the Ti interstitial. Regarding the theoretical part of our paper, the new contributions are that (1) our calculated density of states on defects directly corroborate the experimental observation of Ti interstitial, as predicted in ref 2, (2) the new SCAN-rVV10+U method allows us to include the dispersion force in an ab initio means while accurately obtaining the atomic structure, as described in ref 1, (3) the SCAN-rVV10+U method also yields nearly the same band gap as our experimental value, and (4) last but not least, we use a 588-atom supercell to study all relevant defects in TiS₂ to reach a conclusion.