Semiconducting M2X (M =Cu,Ag,Au;X =S,Se,Te) monolayers:A broad range of band gaps and high carrier m

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Two-dimensional semiconductors (2DSCs) with appropriate band gaps and high mobilities are highly desired for future-generation electronic and optoelectronic applications.Here,using first-principles calculations,we report a novel class of 2DSCs,group-11-chalcogenide monolayers (M2X,M =Cu,Ag,Au;X =S,Se,Te),featuring with a broad range of energy band gaps and high carrier mobilities.Their energy band gaps extend from 0.49 to 3.76 eV at a hybrid density functional level,covering from ultraviolet-A,visible light to near-infrared region,which are crucial for broadband photoresponse.Significantly,the calculated room-temperature carrier mobilities of the M2X monolayers are as high as thousands of cm2.V-1.s-1.Particularly,the carrier mobilities of η-Au2Se and ε-Au2Te are up to 104 cm2·V-1·s-1,which is very attracitive for electronic devices.Benefitting from the broad range of energy band gaps and superior carrier mobilities,the group-11-chalcogenide M2X monolayers are promising candidates for future-generation nanoelectronics and optoelectronics.
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