Interfacial electronic properties of metal/CsSnBr 3 heterojunctions
Source abstract
Abstract
Abstract All-inorganic lead-free perovskite CsSnBr 3 , has been proved good stability and optoelectronic properties in theory and experiment. However, the interfacial electronic properties of metal/CsSnBr 3 are still unclear in electronic devices. Herein, we systematically investigate the interfacial properties of metal electrodes (Al, Ag and Au) and CsSnBr 3 with different atomic terminals (SnBr 2 -T and CsBr-T) through the first-principles calculation. SnBr 2 -T and CsBr-T have various contact types and Schottky barriers due to their different interaction strengths with metals. In particular, the moderate interlayer coupling strength with Al leads to the ultra-low Schottky barrier and tunneling barrier, which makes Al possess the best contact performance among the studied metals. Furthermore, the external electric field can be effective in regulating the Schottky barrier and realizing the Ohmic contact. These findings provide useful guidance for the design of perovskite-based nanoelectronic devices with high performance.
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Research context
OpenAlex topics: Perovskite Materials and Applications · Electronic and Structural Properties of Oxides · ZnO doping and properties
SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.
References (42)
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1. Metal-halide perovskites for photovoltaic and light-emitting devices10.1038/nnano.2015.90 ↗
2. Cs2SnI6-encapsulated multidye-sensitized all-solid-state solar cells10.1021/acsami.8b19778 ↗
3. Bright perovskite nanocrystal films for efficient light-emitting devices10.1021/acs.jpclett.6b02073 ↗
4. Cs2PbI2Cl2, all-inorganic two-dimensional Ruddlesden-Popper mixed halide perovskite with optoelectronic response10.1021/jacs.8b06046 ↗
5. Perovskite light-emitting diodes with external quantum efficiency exceeding 20 percent10.1038/s41586-018-0575-3 ↗
6. CsPbX3 quantum dots for lighting and displays: room-temperature synthesis, photoluminescence superiorities, underlying origins and white light-emitting diodes10.1002/adfm.201600109 ↗
7. Electron-hole diffusion lengths exceeding 1 micrometer in an organometal trihalide perovskite absorber10.1126/science.1243982 ↗
8. Organometallic halide perovskites: sharp optical absorption edge and its relation to photovoltaic performance10.1021/jz500279b ↗
9. High charge carrier mobilities and lifetimes in organolead trihalide perovskites10.1002/adma.201305172 ↗
10. Nanocrystals of cesium lead halide perovskites (CsPbX3, X = Cl, Br, and I): novel optoelectronic materials showing bright emission with wide color gamut10.1021/nl5048779 ↗
11. Photon-induced reversible phase transition in CsPbBr3 perovskite10.1002/adfm.201807922 ↗
12. CsPbBr3 quantum dots 2.0: benzenesulfonic acid equivalent ligand awakens complete purification10.1002/adma.201900767 ↗
13. Strategies to improve luminescence efficiency of metal-halide perovskites and light-emitting diodes10.1002/adma.201804595 ↗
14. Toxicity of organometal halide perovskite solar cells10.1038/nmat4572 ↗
15. Halide ion migration in lead-free all-inorganic cesium tin perovskites10.1063/5.0054210 ↗
16. All-inorganic lead-free metal halide perovskite quantum dots: progress and prospects10.1039/D1CC01783G ↗
17. Electronic band structure, phonons, and exciton binding energies of halide perovskites CsSnCl3, CsSnBr3, and CsSnI310.1103/PhysRevB.88.165203 ↗
18. CsSnBr3, a lead-free halide perovskite for long-term solar cell application: insights on SnF2 addition10.1021/acsenergylett.6b00402 ↗
19. Dynamic stereochemical activity of the Sn2+ lone pair in perovskite CsSnBr310.1021/jacs.6b06287 ↗
20. Strongly quantum confined colloidal cesium tin iodide perovskite nanoplates: lessons for reducing defect density and improving stability10.1021/acs.nanolett.8b00077 ↗
21. Effects of composition modulation on the type of band alignments for Pd2Se3/CsSnBr3 van der Waals heterostructure: a transition from type I to type II10.1016/j.jpowsour.2020.229078 ↗
22. van der Waals interaction-induced tunable Schottky barriers in metal-2D perovskite contacts10.1021/acs.jpclett.0c03635 ↗
23. Approaching the Schottky-Mott limit in van der Waals metal-semiconductor junctions10.1038/s41586-018-0129-8 ↗
24. Tunable Schottky barrier in InTe/graphene van der Waals heterostructure10.1088/1361-6528/ab8e77 ↗
25. Antioxidative stannous oxalate derived lead‐free stable CsSnX3 (X = Cl, Br, and I) perovskite nanocrystals10.1002/ange.202011569 ↗
26. Synthesis and optical properties of lead-free cesium tin halide perovskite nanocrystals10.1021/jacs.5b13470 ↗
27. Highly efficient and stable 2D-3D perovskite solar cells fabricated by interfacial modification10.1088/1361-6528/ab10f3 ↗
28. All‐Inorganic perovskite CsSnBr3 as a thermally stable, free-carrier semiconductor10.1002/anie.201807674 ↗
29. Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set10.1103/PhysRevB.54.11169 ↗
30. Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set10.1016/0927-0256(96)00008-0 ↗
31. Generalized gradient approximation made simple10.1103/PhysRevLett.77.3865 ↗
32. Projector augmented-wave method10.1103/PhysRevB.50.17953 ↗
33. Semiempirical GGA-type density functional constructed with a long-range dispersion correction10.1002/jcc.20495 ↗
34. Transition of the type of band alignments for all-inorganic perovskite van der Waals heterostructures CsSnBr3/WS2(1–x) Se2x10.1021/acs.jpclett.1c00830 ↗
35. Surface states and rectification at a metal semiconductor contact10.1103/PhysRev.71.717 ↗
36. Ohmic/Schottky barrier engineering in metal/SnP3 heterostructures10.1016/j.jallcom.2020.154800 ↗
37. n-type Ohmic contact and p-type Schottky contact of monolayer InSe transistors10.1039/C8CP04615H ↗
38. First-principles investigation of intrinsic point defects in perovskite CsSnBr310.1103/PhysRevMaterials.5.035405 ↗
39. High-performance photodetector based on InSe/Cs2XI2Cl2 (X = Pb, Sn, and Ge) heterostructures10.1103/PhysRevApplied.13.064053 ↗
40. Ohmic contact in monolayer InSe-metal interface10.1088/2053-1583/aa75eb ↗
41. Designing electrical contacts to MoS2 monolayers: a computational study10.1103/PhysRevLett.108.156802 ↗
42. Efficient Ohmic contacts and built-in atomic sublayer protection in MoSi2N4 and WSi2N4 monolayers10.1038/s41699-021-00251-y ↗