Computational studies on functionalized Janus MXenes MM′CT2, (M, M′ = Zr, Ti, Hf, M ≠ M′; T = –O, –F, –OH): photoelectronic properties and potential photocatalytic activities
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DOI: 10.1039/d3ra00303e
Abstract: Motivated by the successful synthesis of Janus monolayers of transition metal dichalcogenides (i.e., MoSSe), we computationally investigated the structural, electronic, optical, and transport properties of functionalized Janus MXenes, namely MM′CT2 (M, M′ = Zr, Ti,… read more here.
Keywords: janus mxenes; mxenes ct2; studies functionalized; computational studies ... See more keywords