TY - JOUR N2 - The electronic, optical and thermoelectric properties of MoS2 nano-sheet in presence of the Ru impurity have been calculated by density functional theory framework with Generalized Gradient approximation. The MoRuS2 nano-sheet electronic structure was changed to the n-type semiconductor by 1.3 eV energy gap. The optical coefficients were shown that the loosing optical energy occurred in the higher ultraviolet region, so this compound is a promising candidate for optical sensing in the infrared and visible range. The thermoelectric behaviors were implied to the good merit parameter in the 100K range and room temperatures and also has high amount of power factor in 600K which made it for power generators applications. L1 - http://www.czasopisma.pan.pl/Content/118801/PDF/AMM-2021-2-15-Arash%20Boochani.pdf L2 - http://www.czasopisma.pan.pl/Content/118801 PY - 2021 IS - No 2 EP - 468 DO - 10.24425/amm.2021.135879 KW - MoS2Ru nano-sheet KW - DFT KW - Electronic properties KW - Optical properties KW - Thermoelectric Properties A1 - Dezfuli, Firouzeh Motamad A1 - Boochani, Arash A1 - Parhizgar, Sara Sadat A1 - Darabi, Elham PB - Institute of Metallurgy and Materials Science of Polish Academy of Sciences PB - Committee of Materials Engineering and Metallurgy of Polish Academy of Sciences VL - vol. 66 DA - 2021.05.13 T1 - The Ru Impurity Effect on Electronic, Optical and Thermoelectric Properties of MoS2 Nano-Sheet: a DFT Study SP - 461 UR - http://www.czasopisma.pan.pl/dlibra/publication/edition/118801 T2 - Archives of Metallurgy and Materials ER -