journal article·2022-10

First-principles study on the vertical heterostructure of the BSe and AlN monolayers

Nahong Song, Yusheng Wang, Zeming Yuan, Fei Wang

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OpenAlex topics: 2D Materials and Applications · MXene and MAX Phase Materials · GaN-based semiconductor devices and materials

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References (54)

Show source-provided references
1. Graphene-like nanocarbides and nanonitrides of d metals (MXenes): synthesis, properties and simulation10.1049/mnl.2012.0797 ↗
2. Hexagonal AlN: Dimensional-crossover-driven band-gap transition10.1103/PhysRevB.91.085430 ↗
3. Phosphorene: an unexplored 2D semiconductor with a high hole mobility10.1021/nn501226z ↗
4. Structural and electronic properties of monolayer group III monochalcogenides10.1103/PhysRevB.95.115409 ↗
5. Theoretical perspective of photocatalytic properties of single-layer SnS${ }2$10.1103/PhysRevB.88.115314 ↗
6. The electronic and optical properties of novel germanene and antimonene heterostructures10.1039/C6TC01141A ↗
7. Electric-field tunable band offsets in black phosphorus and MoS2 van der Waals p-n heterostructure10.1021/acs.jpclett.5b00976 ↗
8. SiGe/h-BN heterostructure with inspired electronic and optical properties: a first-principles study10.1039/C6TC03838G ↗
9. Electronic structure and optical properties of graphene/stanene heterobilayer10.1039/C6CP02424F ↗
10. Band Alignment in Monolayer Boron Phosphide with Janus MoSSe Heterobilayers under Strain and Electric Field10.1103/PhysRevApplied.16.024001 ↗
11. Modulation of band gap by an applied electric field in BN-based heterostructures10.1016/j.ssc.2018.02.012 ↗
12. Interfacial electronic states and self-formed p–n junctions in hydrogenated MoS2/SiC heterostructure10.1039/C8TC00742J ↗
13. A two-dimensional arsenene/g-C3N4 van der Waals heterostructure: a highly efficient photocatalyst for water splitting, Sustainable
14. Electronic structure, optical and photocatalytic performance of SiC–MX2 (M = Mo, W and X = S, Se) van der Waals heterostructures10.1039/C8CP03933J ↗
15. Theoretical Inspection of M1/PMA Single-Atom Electrocatalyst: Ultra-High Performance for Water Splitting (HER/OER) and Oxygen Reduction Reactions (OER)10.1021/acscatal.1c01294 ↗
16. Towards intrinsic charge transport in monolayer molybdenum disulfide by defect and interface engineering10.1038/ncomms6290 ↗
17. Band alignment of two-dimensional semiconductors for designing heterostructures with momentum space matching10.1103/PhysRevB.94.035125 ↗
18. Observation of long-lived interlayer excitons in monolayer MoSe2–WSe2 heterostructures10.1038/ncomms7242 ↗
19. Intriguing electronic structures and optical properties of two-dimensional van der Waals heterostructures of Zr2CT2 (T = O, F) with MoSe2 and WSe210.1039/C7TC05963A ↗
20. Ultrafast charge transfer in atomically thin MoS2/WS2 heterostructures10.1038/nnano.2014.167 ↗
21. Electronic structure and optical properties of novel monolayer gallium nitride and boron phosphide heterobilayers10.1039/C8CP05529G ↗
22. Biaxial Strain-Induced Electronic Structure and Optical Properties of SiP2S Monolayer10.1007/s11664-021-09137-7 ↗
23. Vertical and in-plane heterostructures from WS2/MoS2 monolayers10.1038/nmat4091 ↗
24. Equally Efficient Interlayer Exciton Relaxation and Improved Absorption in Epitaxial and Nonepitaxial MoS2/WS2 Heterostructures10.1021/nl5038177 ↗
25. Tunable electronic properties of arsenene/GaS van der Waals heterostructures10.1039/C7RA03748A ↗
26. Electronic structures and enhanced photocatalytic properties of blue phosphorene/BSe van der Waals heterostructures10.1039/C8TA01019F ↗
27. WS2/BSe van der Waals type-II heterostructure as a promising water splitting photocatalyst10.1088/2053-1591/aaf7c3 ↗
28. First-Principles Study on Transition-Metal Dichalcogenide/BSe van der Waals Heterostructures: A Promising Water-Splitting Photocatalyst10.1021/acs.jpcc.9b05581 ↗
29. Van der Waals heterostructures of P, BSe, and SiC monolayers10.1063/1.5082884 ↗
30. Evidence for graphite-like hexagonal AlN nanosheets epitaxially grown on single crystal Ag(111)10.1063/1.4851239 ↗
31. Ab initio molecular dynamics for liquid metals10.1103/PhysRevB.47.558 ↗
32. Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set10.1016/0927-0256(96)00008-0 ↗
33. Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set10.1103/PhysRevB.54.11169 ↗
34. Generalized gradient approximation made simple10.1103/PhysRevLett.77.3865 ↗
35. S. Grimme, J. Antony, S. Ehrlich, H. Krieg, A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu, The Journal of Chemical Physics, 132 (2010) -.10.1063/1.3382344 ↗
36. Density-functional calculation of methane adsorption on graphenes10.1109/LED.2015.2492580 ↗
37. Ab Initio Study of Temperature, Humidity, and Covalent Functionalization-Induced Bandgap Change of Single-Walled Carbon Nanotubes10.1109/LED.2015.2425046 ↗
38. First-Principles Study of Sulfur Dioxide Sensor Based on Phosphorenes10.1109/LED.2016.2543243 ↗
39. First-principles study of the effect of functional groups on polyaniline backbone10.1038/srep16907 ↗
40. Hybrid functionals based on a screened Coulomb potential10.1063/1.1564060 ↗
41. Layer-dependent transport and optoelectronic property in two-dimensional perovskite: (PEA)2PbI410.1039/C8NR00997J ↗
42. C. Feng, H. Qin, D. Yang, G. Zhang, First-Principles Investigation of the Adsorption Behaviors of CH2O on BN, AlN, GaN, InN, BP, and P Monolayers, Materials, 12 (2019) 676.10.3390/ma12040676 ↗
43. The response of mechanical and electronic properties of graphane to the elastic strain10.1063/1.3353968 ↗
44. Vibrational and mechanical properties of single layer MXene structures: a first-principles investigation
45. Necessary and sufficient elastic stability conditions in various crystal systems10.1103/PhysRevB.90.224104 ↗
46. On the stability of crystal lattices. I10.1017/S0305004100017138 ↗
47. First-principles identifications of superstructures of germanene on Ag(111) surface and h-BN substrate10.1039/c3cp52619d ↗
48. Electrical and Optical Properties of Germanene on Single-Layer BeO Substrate10.1021/acs.jpcc.6b06161 ↗
49. Novel band structures in silicene on monolayer zinc sulfide substrate10.1088/0953-8984/26/39/395003 ↗
50. Quasiparticle band structures and optical properties of strained monolayer MoS${ }2$ and WS${ }2$10.1103/PhysRevB.87.155304 ↗
51. Strain-engineered direct-indirect band gap transition and its mechanism in two-dimensional phosphorene10.1103/PhysRevB.90.085402 ↗
52. Strain engineering band gap, effective mass and anisotropic Dirac-like cone in monolayer arsenene
53. Design of lateral heterostructure from arsenene and antimonene10.1088/2053-1583/3/3/035017 ↗
54. Tailoring the electronic properties of graphyne/blue phosphorene heterostructure via external electric field and vertical strain10.1016/j.cplett.2019.06.005 ↗