Journal
NANOSCALE
Volume 10, Issue 34, Pages 16169-16177Publisher
ROYAL SOC CHEMISTRY
DOI: 10.1039/c8nr05561k
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Funding
- National Key RAMP
- D Program of China [2017YFA0204904, 2016YFA0200604]
- NSFC [11774325, 21603210, 21233007, 21421063, 21603205]
- CAS [XDB01020300]
- Chinese Youth One Thousand Talents Program
- Fundamental Research Funds for the Central Universities
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Since the discovery of graphene, two-dimensional (2D) materials have paved new ways to design high-performance nanoelectronic devices. To facilitate applications of such devices, there are three key requirements that a material needs to fulfill: sizeable band gap, high carrier mobility, and robust environmental stability. However, among the most popular 2D materials studied in recent years, graphene is gapless, hexagonal boron nitride has a very large band gap, transition metal dichalcogenides have low carrier mobility, and black phosphorene is ambience-sensitive. Thus far, these three characteristics could seldom be satisfied by only a single material. Therefore, it is a great challenge to find an ideal 2D material that can overcome these limitations. In this study, we theoretically predicted a novel planar 2D material penta-Pt2N4, which was designed using the Cairo pentagonal tiling as well as the rare nitrogen double bonds. Most significantly, 2D penta-Pt2N4 exhibits excellent intrinsic properties, including large direct band gap (up to 1.51 eV), high carrier mobility (up to 10(5) cm(2)V(-1)s(-1)), very high Young's modulus (up to 0.70 TPa), and robust dynamic, thermal, and ambient stabilities. Moreover, penta-Pt2N4 is the global minimum structure among 2D materials with PtN2 stoichiometry. We also propose a CVD/MBE scheme to enable its experimental synthesis. We envision that 2D penta-Pt2N4 may find wide applications in the field of nanoelectronics.
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