journal article·2024-07

Unveiling the electronic properties of BiP3 triphosphide from bulk to graphene-based heterostructures by first-principles calculations

Igor S.S. de Oliveira, Erika N. Lima, Roberto H. Miwa, Dominike Pacine

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OpenAlex topics: 2D Materials and Applications · Graphene research and applications · Topological Materials and Phenomena

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References (64)

Show source-provided references
1. Work function engineering of graphene10.3390/nano4020267 ↗
2. Unimpeded permeation of water through helium-leak tight graphene-based membranes10.1126/science.1211694 ↗
3. A roadmap for graphene10.1038/nature11458 ↗
4. Mechanically strong, electrically conductive, and biocompatible graphene paper10.1002/adma.200800757 ↗
5. Superior thermal conductivity of single-layer graphene10.1021/nl0731872 ↗
6. H. Wang, H. Feng, J. Li, Graphene and graphene-like layered transition metal dichalcogenides in energy conversion and storage, Small 10 (2165).10.1002/smll.201303711 ↗
7. A review on chemiresistive room temperature gas sensors based on metal oxide nanostructures, graphene and 2d transition metal dichalcogenides10.1007/s00604-018-2750-5 ↗
8. Spin transport in graphene/transition metal dichalcogenide heterostructures10.1039/C7CS00864C ↗
9. Van der waals heterostructures combining graphene and hexagonal boron nitride10.1038/s42254-018-0016-0 ↗
10. Graphene, hexagonal boron nitride, and their heterostructures: properties and applications10.1039/C7RA00260B ↗
11. Gep3: A small indirect band gap 2d crystal with high carrier mobility and strong interlayer quantum confinement10.1021/acs.nanolett.6b05143 ↗
12. Tunable magnetism and extraordinary sunlight absorbance in indium triphosphide monolayer10.1021/jacs.7b05133 ↗
13. Single-layered hittorf’s phosphorus: a wide-bandgap high mobility 2d material10.1021/acs.nanolett.5b05068 ↗
14. Partially planar bp3 with high electron mobility as a phosphorene analog10.1039/C7TC02346D ↗
15. Snp3: A previously unexplored two-dimensional material10.1021/acs.jpcc.8b06668 ↗
16. Synthesis, structure, and superconductivity of new high pressure phases in the systems gep and geas10.1016/0022-4596(70)90005-8 ↗
17. The crystal structure of snp3 and a note on the crystal structure of gep310.1016/0022-4596(72)90091-6 ↗
18. Magnetic switch and electronic properties in chromium-intercalated two-dimensional gep3
19. Extending Schottky–Mott rule to van der waals heterostructures of 2D janus materials: Influence of intrinsic dipoles10.1063/5.0174594 ↗
20. Schottky barrier heights in two-dimensional field-effect transistors: from theory to experiment10.1088/1361-6633/abf1d4 ↗
21. Ohmic contacts in Mxene/MoSi2N4 heterojunctions
22. Graphene–MoS2 hybrid structures for multifunctional photoresponsive memory devices10.1038/nnano.2013.206 ↗
23. High-speed electro-optic modulator integrated with graphene-boron nitride heterostructure and photonic crystal nanocavity10.1021/nl504860z ↗
24. 2D hfn2/graphene interface based schottky device: Unmatched controllability in electrical contacts and carrier concentration via electrostatic gating and out-of-plane strain10.1016/j.apsusc.2020.148389 ↗
25. Tuning the schottky barrier height in graphene/monolayer-GeI2 van der waals heterostructure
26. Ohmic/schottky barrier engineering in metal/snp3 heterostructures10.1016/j.jallcom.2020.154800 ↗
27. Tunable schottky contact in graphene/InP3 van der waals heterostructures10.1016/j.apsusc.2021.149608 ↗
28. Generalized gradient approximation made simple10.1103/PhysRevLett.77.3865 ↗
29. Projector augmented-wave method10.1103/PhysRevB.50.17953 ↗
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. Special points for brillouin-zone integrations10.1103/PhysRevB.13.5188 ↗
32. First principles phonon calculations in materials science10.1016/j.scriptamat.2015.07.021 ↗
33. A unified formulation of the constant temperature molecular dynamics methods10.1063/1.447334 ↗
34. First-principles studies of the three-dimensional strong topological insulators bi2te3, bi2se3 and sb2te310.1088/1367-2630/12/6/065013 ↗
35. Spin polarization and transport of surface states in the topological insulators bi 2 se 3 and bi 2 te 3 from first principles10.1103/PhysRevLett.105.266806 ↗
36. Topological insulator bi 2 se 3 (111) surface doped with transition metals: An ab initio investigation10.1103/PhysRevB.88.045312 ↗
37. Bismuthene on a sic substrate: A candidate for a high-temperature quantum spin hall material10.1126/science.aai8142 ↗
38. A phosphorene-like inp3 monolayer: structure, stability, and catalytic properties toward the hydrogen evolution reaction10.1039/C9TA08612A ↗
39. Cap3: A new two-dimensional functional material with desirable band gap and ultrahigh carrier mobility10.1021/acs.jpclett.8b00595 ↗
40. Novel two-dimensional semiconductor snp3: high stability, tunable bandgaps and high carrier mobility explored using first-principles calculations10.1039/C8TA02494D ↗
41. Two-dimensional materials from high-throughput computational exfoliation of experimentally known compounds10.1038/s41565-017-0035-5 ↗
42. Ultra-low thermal conductivity and high thermoelectric performance of monolayer BiP3: a first principles study10.1039/D1CP01383A ↗
43. Kagome-like BiP3 monolayer: An emerging quasi-direct auxetic semiconductor coupled with high anisotropic mobility toward visible-light-driven photoelectrocatalytic pH-robust overall water-splitting10.1021/acs.langmuir.3c01840 ↗
44. Two-dimensional bip3 with high carrier mobility and moderate band gap for hydrogen generation from water splitting10.1016/j.apsusc.2019.144263 ↗
45. Gaponenko · 2018
46. Modeling the contribution of quantum confinement to luminescence from silicon nanoclusters10.1063/1.366608 ↗
47. An extended ‘quantum confinement’ theory: surface-coordination imperfection modifies the entire band structure of a nanosolid10.1088/0022-3727/34/24/308 ↗
48. Layer-dependent band alignment and work function of few-layer phosphorene10.1038/srep06677 ↗
49. Thickness dependence of work function, ionization energy, and electron affinity of Mo and W dichalcogenides from DFT and GW calculations10.1103/PhysRevB.103.085404 ↗
50. Exploring the thickness-dependence of the properties of layered gallium sulfide10.3389/fchem.2021.781467 ↗
51. Tunable schottky contact in graphene/inp3 van der waals heterostructures10.1016/j.apsusc.2021.149608 ↗
52. Tuning the schottky barrier height in graphene/monolayer-gei2 van der waals heterostructure
53. Approaching the schottky-mott limit in van der waals metal–semiconductor junctions10.1038/s41586-018-0129-8 ↗
54. Van der waals heterostructure of phosphorene and graphene: Tuning the schottky barrier and doping by electrostatic gating10.1103/PhysRevLett.114.066803 ↗
55. Van der waals metal–semiconductor junction: Weak fermi level pinning enables effective tuning of schottky barrier10.1126/sciadv.1600069 ↗
56. Tuning the graphene work function by electric field effect10.1021/nl901572a ↗
57. The work function of few-layer graphene
58. Work function, deformation potential, and collapse of landau levels in strained graphene and silicene10.1103/PhysRevB.101.245115 ↗
59. Bader · 1990
60. Henkelman · Comput. Mater. Sci. · 2006 · 36 · 25410.1016/j.commatsci.2005.04.010 ↗
61. Tunable Schottky barrier in InTe/graphene van der Waals heterostructure
62. Tuning electronic properties of blue phosphorene/graphene-like GaN van der Waals heterostructures by vertical external electric field10.1186/s11671-019-2999-6 ↗
63. Effects of strain and electric field on electronic structures and Schottky barrier in graphene and SnS hybrid heterostructures10.1016/j.carbon.2016.08.082 ↗
64. A review of doping modulation in graphene10.1016/j.synthmet.2018.07.001 ↗