Engineering the electronic and optical properties of monolayer silicon carbide via molecular doping

1. Recent development of two-dimensional transition metal dichalcogenides and their applications10.1016/j.mattod.2016.10.002 ↗

2. MoS 2/ZnO van Der Waals Heterostructure as a High-Efficiency Water Splitting Photocatalyst: a First-Principles Study10.1039/C8CP00808F ↗

3. Point defects in blue phosphorene10.1021/acs.chemmater.9b02871 ↗

4. Janus XSSe/SiC (X = Mo, W) van Der Waals Heterostructures as Promising Water-Splitting Photocatalysts10.1016/j.physe.2020.114207 ↗

5. A MoSSe/Blue phosphorene vdw heterostructure with energy conversion efficiency of 19.9% for photocatalytic water splitting10.1088/1361-6641/abba40 ↗

6. Predicted 2D ferromagnetic janus VSeTe monolayer with high curie temperature, large valley polarization and magnetic crystal anisotropy10.1039/D0NR04837B ↗

7. Electronic, magnetism and optical properties of transition metals adsorbed puckered arsenene10.1016/j.spmi.2021.106852 ↗

8. First-principles study of defects and adatoms in silicon carbide honeycomb structures10.1103/PhysRevB.81.075433 ↗

9. Excitonic effects in the optical properties of a SiC sheet and nanotubes10.1103/PhysRevB.84.085404 ↗

10. Two-dimensional silicon carbide: emerging direct band gap semiconductor10.3390/nano10112226 ↗

11. Light-emitting two-dimensional ultrathin silicon carbide10.1021/jp210536m ↗

12. From graphene to silicon carbide: Ultrathin silicon carbide flakes10.1088/0957-4484/27/7/075602 ↗

13. Silicon carbide as a platform for power electronics10.1126/science.1168704 ↗

14. Recent developments in SiC single-crystal electronics10.1088/0268-1242/7/7/001 ↗

15. The creation of true two-dimensional silicon carbide10.3390/nano11071799 ↗

16. Predicting two-dimensional silicon carbide monolayers10.1021/acsnano.5b02753 ↗

17. Tuning the indirect–direct band gap transition of SiC, GeC and SnC monolayer in a graphene-like honeycomb structure by strain engineering: a quasiparticle GW study10.1039/c2jm30915g ↗

18. Monolayer honeycomb structures of Group-IV elements and III-V binary compounds: first-principles calculations10.1103/PhysRevB.80.155453 ↗

19. First principles study of silicene symmetrically and asymmetrically functionalized with halogen atoms10.1039/C6RA18179A ↗

20. Halogenated arsenenes as dirac materials10.1016/j.apsusc.2016.03.037 ↗

21. Electronic properties of janus silicene: new direct band gap semiconductors10.1088/0022-3727/49/44/445305 ↗

22. First-principles calculations of aluminium nitride monolayer with chemical functionalization10.1016/j.apsusc.2019.02.015 ↗

23. Electronic and magnetic behaviors of graphene with 5d series transition metal atom substitutions: a first-principles study10.1016/j.physe.2016.01.026 ↗

24. Electronic and magnetic properties of 4d series transition metal substituted graphene: a first-principles study10.1016/j.carbon.2017.04.060 ↗

25. Transition metal doped puckered arsenene: magnetic properties and potential as a catalyst10.1016/j.physe.2018.12.027 ↗

26. Strain effects on stability, electronic and optical properties of two-dimensional C 4 X 2 (X = F, Cl, br)10.1039/D1TC00507C ↗

27. Molecular doping of blue phosphorene: a first-principles investigation10.1088/1361-648X/ab4628 ↗

28. Modulating carrier density and transport properties of MoS 2 by organic molecular doping and defect engineering10.1021/acs.chemmater.6b03539 ↗

29. Quantitative analysis of graphene doping by organic molecular charge transfer10.1021/jp200386z ↗

30. Tailoring electronic properties of graphene by π–π stacking with aromatic molecules10.1021/jz201273r ↗

31. Molecular doping and band-gap opening of bilayer graphene10.1021/nn400340q ↗

32. Gate-tunable dirac point of molecular doped graphene10.1021/acsnano.6b00064 ↗

33. Tunable photoluminescence of monolayer MoS 2 via chemical doping10.1021/nl403036h ↗

34. Chemical vapor sensing with monolayer MoS 210.1021/nl3043079 ↗

35. Tuning the optical emission of MoS 2 nanosheets using proximal photoswitchable azobenzene molecules10.1063/1.4904824 ↗

36. Confocal absorption spectral imaging of MoS 2 : optical transitions depending on the atomic thickness of intrinsic and chemically doped MoS 210.1039/C4NR03703K ↗

37. Enhancing photoluminescence of trion in single-layer MoS2 using p-Type aromatic molecules10.1016/j.cplett.2015.06.036 ↗

38. Modulating the electronic and optical properties of monolayer arsenene phases by organic molecular doping10.1088/1361-6528/aa9430 ↗

39. Exceptional optical absorption of buckled arsenene covering a broad spectral range by molecular doping10.1021/acsomega.8b01192 ↗

40. One-dimensional self-assembly of planar π-Conjugated molecules: adaptable building blocks for organic nanodevices10.1021/ar800030w ↗

41. Tetrathiafulvalene (TTF) derivatives: key building-blocks for switchable processes10.1039/b818607n ↗

42. Organic quantum chemistry. XXI. Structure and spectrum of cyclooctadecanonaene ([18]Annulene)10.1021/ja01038a033 ↗

43. Crystal and Molecular Structure of the Charge-Transfer Salt of Decamethylcobaltocene and Tetracyanoethylene (2:1): {[Co(C5Me5)2]+}2[(NC)2CC(CN)2]2-. The Electronic Structures and Spectra of [TCNE]n (n = 0, 1-, 2-)10.1021/ja00246a023 ↗

44. Synthesis and application of 1,3,4,5,7,8-Hexafluorotetracyanonaphthoquinodimethane (F6-TNAP): a conductivity dopant for organic light-emitting devices10.1021/cm1002737 ↗

45. High electron affinity molecular dopant CN6-CP for efficient organic light-emitting diodes10.1021/acsami.8b21865 ↗

46. High electron affinity enables fast hole extraction for efficient flexible inverted perovskite solar cells10.1002/aenm.201903487 ↗

47. Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set10.1103/PhysRevB.54.11169 ↗

48. Generalized gradient approximation made simple10.1103/PhysRevLett.77.3865 ↗

49. Hybrid functionals based on a screened coulomb potential10.1063/1.1564060 ↗

50. A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu10.1063/1.3382344 ↗

51. Linear optical properties in the projector-augmented wave methodology10.1103/PhysRevB.73.045112 ↗

52. Semihydrogenated BN sheet: a promising visible-light driven photocatalyst for water splitting10.1038/srep01858 ↗

53. Tunable Structural, Electronic, and Optical Properties of Layered Two-Dimensional C 2 N and MoS 2 van Der Waals Heterostructure as Photovoltaic Material10.1021/acs.jpcc.6b12681 ↗

54. Theory of polarization of crystalline solids10.1103/PhysRevB.47.1651 ↗

55. Electronic Structure Modification of Si Nanocrystals with F 4 -TCNQ10.1103/PhysRevB.84.125437 ↗

56. Selective binding of the cyano group in acrylonitrile adsorption on Si(100)-2 × 110.1021/ja010574j ↗

57. A fast and robust algorithm for bader decomposition of charge density10.1016/j.commatsci.2005.04.010 ↗

58. Improved grid-based algorithm for bader charge allocation10.1002/jcc.20575 ↗

59. A grid-based bader analysis algorithm without lattice bias10.1088/0953-8984/21/8/084204 ↗

60. Mechanism of charge transfer and its impacts on fermi-level pinning for gas molecules adsorbed on monolayer WS210.1063/1.4922049 ↗

61. Is graphitic silicon carbide (silagraphene) stable?10.1021/acs.chemmater.8b03293 ↗

62. Rationally designed 2D/2D SiC/g-C 3 N 4 photocatalysts for hydrogen production10.1039/C9CY00329K ↗

63. The origin of a flat band10.1016/S0022-4596(03)00239-1 ↗

64. First-principles study of metal adatom adsorption on graphene10.1103/PhysRevB.77.235430 ↗

65. Effects of structural imperfection on the electronic properties of Graphene/WSe 2 heterostructures10.1039/C7TC03131A ↗

66. First-principles calculations of the electronic properties of SiC-Based bilayer and trilayer heterostructures10.1039/C8CP03508C ↗