Substrate mediated electronic and excitonic reconstruction in a MoS(2)monolayer
JOURNAL OF MATERIALS CHEMISTRY C
Authors: Yang, Yulin; Song, Tingting; Zhang, Xiaoman; Zhao, Yifei; Chai, Jingshan; Cheng, Zaijun; Huang, Xiaohua; Zhang, Hongyi; Zhu, Wenzhang; Yang, Ming
Abstract
The atom thickness of two-dimensional materials (2D) makes their physical and chemical properties vulnerable to external influences. In this study, we show that the electronic and optical properties of the MoS(2)monolayer can be tuned by substrates (BN, g-GeC, and graphite). Based on first-principles calculations with the GW and GW plus Bethe-Salpeter equation (GW-BSE) approaches, we find that substrates provide effective dielectric screening to the electron-hole Coulomb interaction and result in reduced exciton binding energies in the MoS(2)monolayer, which is more pronounced on graphite and GeC, due to more effective screening and stronger interfacial interaction, respectively. We further demonstrate that when the thickness of the substrate is increased, the exciton binding energy converges slowly due to the nonlocal nature of the screened Coulomb interaction, and encapsulating the MoS(2)monolayer with the same substrate material further decreases the exciton binding energy due to increased screening. These results highlight the importance of substrate effects on the electronic and optical properties of a 2D semiconducting monolayer, and might offer an efficient way to tailor the performance of the relevant electronic and optoelectronic devices.
Fate assessment of commercial 2D MoS(2)aqueous dispersions at physicochemical and toxicological level
NANOTECHNOLOGY
Authors: Domi, Brixhilda; Bhorkar, Kapil; Rumbo, Carlos; Sygellou, Labrini; Yannopoulos, Spyros N.; Quesada, Roberto; Antonio Tamayo-Ramos, Juan
Abstract
The physicochemical properties and the toxicological potential of commercially available MoS(2)nanoparticles with different lateral size and degradation stage were studied in the present research work. To achieve this, the structure and stoichiometry of fresh and old aqueous suspensions of micro-MoS(2)and nano-MoS(2)was analyzed by Raman, while x-ray photoelectron spectroscopy allowed to identify more quantitatively the nature of the formed oxidized species. A, the toxicological impact of the nanomaterials under analysis was studied using adenocarcinomic human alveolar basal epithelial cells (A549 cells) and the unicellular fungusS. cerevisiaeas biological models. Cell viability assays and reactive oxygen species (ROS) determinations demonstrated different toxicity levels depending on the cellular model used and in function of the degradation state of the selected commercial nanoproducts. Both MoS(2)nanoparticle types induced sublethal damage on the A549 cells though the increase of intracellular ROS levels, while comparable concentrations reduced the viability of yeast cells. In addition, the old MoS(2)nanoparticles suspensions exhibited a higher toxicity for both human and yeast cells than the fresh ones. Our findings demonstrate that the fate assessment of nanomaterials is a critical aspect to increase the understanding on their characteristics and on their potential impact on biological systems along their life cycle.