First-principles study of the effect of alkaline earth metal doping on the magnetic and photocatalytic properties of monolayer AlN: VN-Hi
Bibliographic record
Abstract
No abstract is available for this record. The assistant can identify its topic from the title, but cannot infer the study’s results.
Source: Not provided · Quality: missing
Research context
OpenAlex topics: MXene and MAX Phase Materials · 2D Materials and Applications · ZnO doping and properties
SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.
References (59)
Show source-provided references
1. Half-unit-cell ZnIn2S4 monolayer with sulfur vacancies for photocatalytic hydrogen evolution10.1016/j.apcatb.2019.02.027 ↗
2. Modifying photocatalysts for solar hydrogen evolution based on the electron behavior10.1039/C6TA10497E ↗
3. Visible-light driven heterojunction photocatalysts for water splitting a critical review10.1039/C4EE03271C ↗
4. Review of two-dimensional materials for photocatalytic water splitting from a theoretical perspective10.1039/C6CY02178F ↗
5. A first-principles study of two-dimensional NbSe2H/g-ZnO van der waals heterostructures as a water splitting photocatalyst10.1039/D1CP03565G ↗
6. Achieving type-II SnSSe/as van der waals heterostructure with satisfactory oxygen tolerance for optoelectronic and photovoltaic applications
7. Constructing trifunctional MoTe2/As van der Waals heterostructures for versatile energy applications10.1039/D2NJ04297E ↗
8. Recent advances in 2D materials for photocatalysis10.1039/C6NR00546B ↗
9. Two-dimensional nanosheets for photoelectrochemical water splitting: possibilities and opportunities10.1016/j.nantod.2013.12.002 ↗
10. Auxetic, flexible, and strain-tunable two-dimensional th-AlN for photocatalytic visible light water splitting with anisotropic high carrier mobility10.1039/D1TC00467K ↗
11. Two dimensional ZnO/AlN composites used for photocatalytic water-splitting: a hybrid density functional study10.1039/C9RA06104E ↗
12. Charged vacancy defects in an AlN nanosheet: A first-principles DFT study10.1016/j.cocom.2018.02.002 ↗
13. Magnetic phase stability of transition metals doped (4,4) AlN nanosheet10.1016/j.jmmm.2019.166028 ↗
14. Layer- and strain-dependent optoelectronic properties of hexagonal AlN10.1103/PhysRevB.92.165408 ↗
15. Enhancement of room temperature ferromagnetism in Cu-doped AlN thin film by defect engineering10.1016/j.jallcom.2013.09.214 ↗
16. Crystallographic properties and electronic structure of V-doped AlN films that absorb near ultraviolet-visible-infrared light10.1063/1.5004609 ↗
17. Photoluminescence and photocatalytic hydrogen evolution properties of orange-red emitting AlN: Sm3+
18. Luminescence properties and energy transfer mechanism of Eu3+ and Tm3+ Co-doped AlN thin films10.1016/j.jlumin.2021.118082 ↗
19. Ultraviolet optical properties analysis of wurtzite AlN films grown by vapor phase epitaxy10.1016/j.optmat.2020.110678 ↗
20. Hybrid density functional study on the photocatalytic properties of AlN/MoSe2, AlN/WS2, and AlN/WSe2 heterostructures
21. The influence of intrinsic atomic defects on the electronic and optical properties of the single layer AlN10.1088/1402-4896/ab93a7 ↗
22. Computational study on the effects of vacancy in wurtzite AlN (0001) and (0001(—)) surfaces10.1016/j.physb.2021.412868 ↗
23. Process design of the pulse injection method for low-temperature metal organic vapor phase epitaxial growth of AlN at 800 ℃10.1016/j.jcrysgro.2008.10.086 ↗
24. Graphene-like AlN layer formation on (111) Si surface by ammonia molecular beam epitaxy10.1016/j.jcrysgro.2015.07.030 ↗
25. Atomic layer epitaxy of III-nitrides: a microscopic model of homoepitaxial growth10.1021/acsami.0c14622 ↗
26. Physics and chemistry of hydrogen in the vacancies of semiconductors10.1103/PhysRevB.68.085202 ↗
27. Origin of d0 magnetism in II-VI and III-V semiconductors by substitutional doping at anion site10.1103/PhysRevB.81.125211 ↗
28. Strain-tunable electronic and magnetic properties of two-dimensional gallium nitride with vacancy defects10.1063/1.5132417 ↗
29. Monolayer GaN functionalized with alkali metal and alkaline earth metal atoms: A first-principles study10.1016/j.spmi.2019.05.011 ↗
30. Point defects in monolayer h-AlN as candidates for single-photon emission10.1021/acsami.1c09175 ↗
31. First-principles simulation: ideas, illustrations and the CASTEP code10.1088/0953-8984/14/11/301 ↗
32. First principles methods using CASTEP10.1524/zkri.220.5.567.65075 ↗
33. Generalized gradient approximation made simple10.1103/PhysRevLett.77.3865 ↗
34. Semiempirical GGA-type density functional constructed with a long-range dispersion correction10.1002/jcc.20495 ↗
35. Hexagonal AlN: dimensional-crossover-driven band-gap transition10.1103/PhysRevB.91.085430 ↗
36. Evidence for graphite-like hexagonal AlN nanosheets epitaxially grown on single crystal Ag (111)10.1063/1.4851239 ↗
37. Chemical and substitutional doping, anti-site and vacancy formation in monolayer AlN and GaN10.1039/C8CP02188K ↗
38. Defect and impurity properties of hexagonal boron nitride: A first-principles calculation10.1103/PhysRevB.86.245406 ↗
39. Realistic dimension-independent approach for charged-defect calculations in semiconductors10.1103/PhysRevB.101.165306 ↗
40. Evaluation of charged defect energy in two-dimensional semiconductors for nanoelectronics: the WLZ extrapolation method10.1002/andp.201900318 ↗
41. First-principles study of the perfect and vacancy defect AlN nanoribbon10.1016/j.physb.2010.05.085 ↗
42. Vacancy compensation and related donor-acceptor pair recombination in bulk AlN10.1063/1.4824731 ↗
43. Origins of optical absorption and emission lines in AlN10.1063/1.4895786 ↗
44. Vacancies in wurtzite GaN and AlN
45. p-Type ZnO materials: theory, growth, properties and devices10.1016/j.pmatsci.2013.03.002 ↗
46. Effects of Ni doping and native point defects on magnetism of ZnO first-principles study10.1063/1.5022780 ↗
47. First-principles investigation of nonmetal doped single-layer BiOBr as a potential photocatalyst with low recombination rate10.1039/D0CP02007A ↗
48. Effects of strains on the electronic structure and optical properties of Ce doped ZnO with interstitial H
49. Electronic and optical properties of advance semiconductor materials: BN, AlN and GaN nanosheets from first principles10.1016/j.ijleo.2015.10.194 ↗
50. Electronic and optical properties of AlN nanosheet: An ab initio study10.1016/j.optcom.2013.06.061 ↗
51. Band structure, effective mass, and carrier mobility of few-layer h-AlN under layer and strain engineering10.1063/1.5139664 ↗
52. First principles study of carrier activity, lifetime and absorption spectrum to investigate effects of strain on the photocatalytic performance of doped ZnO10.1016/j.cap.2021.09.012 ↗
53. New insight into the enhanced visible-light photocatalytic activities of B-, C- and B/C-doped anatase TiO2 by first-principles10.1039/c3cp44651d ↗
54. Alignment of acentric MoO3F3- anions in a polar material: (Ag3MoO3F3) (Ag3MoO4) Cl10.1016/S0022-4596(03)00090-2 ↗
55. Proposed photosynthesis method for producing hydrogen from dissociated water molecules using incident near-infrared light
56. Metal-free highly efficient photocatalysts for overall water splitting: C3N5 multilayers10.1039/C9NR08416A ↗
57. Theoretical prediction of two-dimensional ZnO/GaN van der waals heterostructure as a photocatalyst for water splitting10.1016/j.chemphys.2019.110539 ↗
58. Origin of the overpotential for oxygen reduction at a fuel-cell cathode10.1021/jp047349j ↗
59. A universal principle for a rational design of single-atom electrocatalysts10.1038/s41929-018-0063-z ↗