1. Vanishing Schottky Barriers in Blue Phosphorene/MXene Heterojunctions
- Author
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Chen Si, Hefei Wang, Jian Zhou, and Zhimei Sun
- Subjects
Materials science ,business.industry ,Schottky barrier ,Schottky diode ,Heterojunction ,02 engineering and technology ,010402 general chemistry ,021001 nanoscience & nanotechnology ,01 natural sciences ,0104 chemical sciences ,Surfaces, Coatings and Films ,Electronic, Optical and Magnetic Materials ,Phosphorene ,chemistry.chemical_compound ,General Energy ,Semiconductor ,chemistry ,Electrode ,Optoelectronics ,Surface modification ,Physical and Theoretical Chemistry ,0210 nano-technology ,business ,MXenes - Abstract
An appropriate electrode material is crucial for two-dimensional (2D) semiconductors, where a vanishing Schottky barrier is ideal but is a great challenge. Blue phosphorene (BlueP) is a promising 2D semiconductor for electronic and optoelectronic applications. Here, we report that Zr-, Hf-, and Nb-based 2D transition metal carbides (MXenes) are ideal electrode materials for BlueP based on extensive investigations of the electronic properties and interfacial Schottky barrier characteristics of BlueP/MXene heterojunctions by first-principles calculations. Our results show that the strong interaction between BlueP and bare MXenes destroys the semiconducting character of BlueP, and thus bare MXenes are not ideal contact electrodes. With the surface functionalization of MXene, the intrinsic electronic feature of BlueP is well preserved in the BlueP/surface-engineered MXene heterojunctions. Furthermore, the interfacial Schottky barriers of the heterojunctions are affected by the terminal surface groups on MXene...
- Published
- 2017