Electronic, Optical and Thermoelectric Properties of Two-Dimensional Molybdenum Carbon Mo[sub.2]C-MXenes

We investigate the structural, electronic, optical, and thermoelectric properties of three compositions of Mo[sub.2]C-MXenes (Mo[sub.2]CF[sub.2], Mo[sub.2]C(OH)[sub.2], and Mo[sub.2]CO[sub.2]) from monolayer to multilayer by first principles calculation within Density Functional Theory (DFT) and Bol...

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Veröffentlicht in:	Applied sciences 2024-10, Vol.14 (20)
Hauptverfasser:	Anh, Doan Thi Kieu, Minh, Pham Hong, Yamanoi, Kohei, Cadatal-Raduban, Marilou, Mui, Luong Viet, Hieu, Do Minh, Hung, Nguyen Dai
Format:	Artikel
Sprache:	eng
Schlagworte:	Analysis Density functionals Electric properties Electrical conductivity Molybdenum Optical properties Semiconductors Thermoelectricity
Online-Zugang:	Volltext
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