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- W4386558662 abstract "Abstract MXenes have wide applications because of the structural flexibility and compositional diversity. Quantum capacitance, electronic and photocatalytic properties of Sc 2 CO 2 monolayer under uniaxial strains are investigated by first‐principles calculation. Sc 2 CO 2 monolayer can withstand stress up to 13.96 N/M and about 14% tensile uniaxial strain limit. Sc 2 CO 2 undergoes a transition from semiconductor to metal at −15% uniaxial strain. Sc 2 CO 2 under uniaxial strains are only used for the water reduction at pH = 0. Sc 2 CO 2 under uniaxial strains of −10%, −7%, −3%, 0%, and 4% within the appropriate pH scope are potential photocatalysts for water redox reaction. Sc 2 CO 2 with −15% uniaxial strain is promising anode material, and Sc 2 CO 2 with tensile uniaxial strain is more potential cathode material. Wide voltage improves the top quantum capacitance at negative bias under uniaxial strain and keeps the type of electrode materials. Quantum capacitance of Sc 2 C with mixed termination (Sc 2 CO 0.59 F 1.19 (OH) 0.22 ) under uniaxial strain is explored. The introduction of uniaxial strain and mixed termination has little effect on the electrode type of Sc 2 CO 2 MXene." @default.
- W4386558662 created "2023-09-09" @default.
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- W4386558662 date "2023-09-08" @default.
- W4386558662 modified "2023-10-14" @default.
- W4386558662 title "Electronic properties, quantum capacitance and photocatalyst for water splitting of <scp>Sc<sub>2</sub>CO<sub>2</sub> MXene</scp> under uniaxial strain" @default.
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- W4386558662 doi "https://doi.org/10.1002/qua.27243" @default.
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