Two-dimensional T′-phase MA2N4 (M=Mo/W, A=Si/Ge) nanosheets: First-principles insights into the structural stability, electronic property and catalytic performance for hydrogen evolution reaction
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OpenAlex topics: MXene and MAX Phase Materials · 2D Materials and Applications · Advanced Photocatalysis Techniques
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References (67)
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1. Chemical vapor deposition of layered two-MoSi2N4 materials10.1126/science.abb7023 ↗
2. Discovery of 2D van der Waals layered MoSi2N4 family10.1093/nsr/nwaa190 ↗
3. Intercalated architecture of MA2Z4 family layered van der Waals materials with emerging topological, magnetic and superconducting properties10.1038/s41467-021-22324-8 ↗
4. Discovery of efficient visible-light driven oxygen evolution photocatalysts: Automated high-throughput computational screening of MA2Z410.1002/adfm.202207415 ↗
5. Novel two-dimensional MA2N4 materials for photovoltaic and spintronic applications10.1021/acs.jpclett.1c02650 ↗
6. Computational exploration of stable 4d/5d transition-metal MSi2N4 (M=Y-Cd and Hf-Hg) nanosheets and their versatile electronic and magnetic properties10.1021/acs.jpcc.1c06734 ↗
7. Two-dimensional MSi2N4 monolayers and van der Waals heterostructures: Promising spintronic properties and band alignments
8. MoSi2N4 : A 2D regime with strong exciton-phonon coupling10.1002/adom.202102612 ↗
9. Exceptional piezoelectricity, high thermal conductivity and stiffness and promising photocatalysis in two-dimensional MoSi2N4 family confirmed by first-principles10.1016/j.nanoen.2020.105716 ↗
10. Large and anisotropic carrier mobility in monolayers of the MA2Z4 series (M=Cr, Mo, W; A=Si, Ge; and Z=N, P)10.1039/D2NR02382B ↗
11. MoSi2N4 single-layer: a novel two-dimensional material with outstanding mechanical, thermal, electronic and optical properties10.1088/1361-6463/abdb6b ↗
12. Prediction of protected band edge states and dielectric tunable quasiparticle and excitonic properties of monolayer MoSi2N410.1038/s41524-022-00815-6 ↗
13. Efficient ohmic contacts and built-in atomic sublayer protection in MoSi2N4 and WSi2N4 monolayers10.1038/s41699-021-00251-y ↗
14. Promising properties of a sub-5-nm monolayer MoSi2N4 transistor10.1103/PhysRevApplied.16.044022 ↗
15. Performance limit of monolayer MoSi2N4 transistors10.1039/D1TC02937A ↗
16. Activating electrocatalytic hydrogen evolution performance of two-dimensional MSi2N4(M=Mo, W) : A theoretical prediction
17. Monolayer MoSi2N4- as promising electrocatalyst for hydrogen evolution reaction: A DFT prediction10.1016/j.jmst.2021.06.004 ↗
18. Enhancing the hydrogen evolution reaction by non-precious transition metal (non-metal) atom doping in defective MoSi2N4 monolayer10.1016/j.apsusc.2021.150388 ↗
19. Atomic precision tailoring of two-dimensional MoSi2N4 as electrocatalyst for hydrogen evolution reaction10.1007/s10853-022-07755-y ↗
20. Non-precious metal activated MoSi2N4 monolayers for high-performance OER and ORR electrocatalysts: A first-principles study10.1016/j.apsusc.2021.152234 ↗
21. Nitric oxide electrochemical reduction reaction on transition metal-doped MoSi2N4 monolayers10.1039/D2CP01500E ↗
22. DFT investigation of single metal atom-doped 2D MA2Z4 materials for NO electrocatalytic reduction to NH310.1021/acs.jpcc.2c05780 ↗
23. First-principles studies of monolayers MoSi2N4 decorated with transition metal single-atom for visible light-driven high-efficient CO2 reduction by strain and electronic engineering10.1016/j.cej.2022.138198 ↗
24. Synergistic effect of a diatomic boron-doped layered two-dimensional MSi2N4 monolayer for an efficient electrochemical nitrogen reduction10.1039/D2TA03667C ↗
25. The versatile electronic, magnetic and photo-electro catalytic activity of a new 2D MA2Z4 family10.1002/chem.202100851 ↗
26. Symbolic transformer accelerating machine learning screening of hydrogen and deuterium evolution reaction catalysts in MA2Z4 materials10.1021/acsami.1c13236 ↗
27. Multilevel theoretical screening of novel two-dimensional MA2Z4 family for hydrogen evolution10.1021/acs.jpclett.1c02487 ↗
28. Metastable MoS2: Crystal structure, electronic band structure, synthetic approach and intriguing physical properties10.1002/chem.201801018 ↗
29. First-principles study on structural, thermal, mechanical and dynamic stability of T’-MoS2
30. Two-dimensional MoS2 2H, 1T, and 1T′ crystalline phases with incorporated adatoms: theoretical investigation of electronic and optical properties10.1364/AO.433239 ↗
31. Metastable 1T′-phase group VIB transition metal dichalcogenide crystals10.1038/s41563-021-00971-y ↗
32. Quantum spin Hall effect in two-dimensional transition metal dichalcogenides10.1126/science.1256815 ↗
33. A fantastic two-dimensional MoS2 material based on the inert basal planes activation: Electronic structure, synthesis strategies, catalytic active sites, catalytic and electronics properties10.1016/j.ccr.2019.213020 ↗
34. Strategies to improve electrocatalytic performance of MoS2-based catalysts for hydrogen evolution reactions10.1039/D2RA03066G ↗
35. Tuning the phase stability and surface HER activity of 1T′-MoS2 by covalent chemical functionalization10.1039/D0TC03943H ↗
36. Theoretical analysis of surface active sites in defective 2H and 1T′ MoS2 polymorphs for hydrogen evolution reaction: Quantifying the total activity of point defects10.1002/adts.201900213 ↗
37. High phase-purity 1T′-MoS2- and 1T′-MoSe2-layered crystals10.1038/s41557-018-0035-6 ↗
38. Roadmap and direction toward high-performance MoS2 hydrogen evolution catalysts10.1021/acsnano.1c01879 ↗
39. Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set10.1103/PhysRevB.54.11169 ↗
40. Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set10.1016/0927-0256(96)00008-0 ↗
41. Efficient generation of generalized Monkhorst–Pack grids through the use of informatics10.1103/PhysRevB.93.155109 ↗
42. VASPKIT: A user-friendly interface facilitating high-throughput computing and analysis using VASP code10.1016/j.cpc.2021.108033 ↗
43. Wannier90 as a community code: new features and applications
44. WannierTools : An open-source software package for novel topological materials10.1016/j.cpc.2017.09.033 ↗
45. Electrolysis of water on oxide surfaces10.1016/j.jelechem.2006.11.008 ↗
46. Extension and evaluation of the D4 London-dispersion model for periodic systems10.1039/D0CP00502A ↗
47. Rumble · 2022
48. Ferromagnetic and nonmagnetic 1T′ charge density wave states in transition metal dichalcogenides: Physical mechanisms and charge doping induced reversible transition
49. First principles phonon calculations in materials science10.1016/j.scriptamat.2015.07.021 ↗
50. Structural, vibrational, and electronic properties of single-layer hexagonal crystals of group IV and V elements10.1103/PhysRevB.98.045431 ↗
51. Tunable magnetism and half-metallicity in hole-doped monolayer GaSe10.1103/PhysRevLett.114.236602 ↗
52. Elastic properties of hydrogenated graphene10.1103/PhysRevB.82.235414 ↗
53. Mechanical properties of lateral transition metal dichalcogenide heterostructures10.1007/s11467-020-1001-5 ↗
54. Half-metallicity in MnPSe3 exfoliated nanosheet with carrier doping10.1021/ja505097m ↗
55. A first-principles study of a real energetically stable MoN2 nanosheet and its tunable electronic structure10.1039/C7TC05717B ↗
56. Necessary and sufficient elastic stability conditions in various crystal systems10.1103/PhysRevB.90.224104 ↗
57. Stable puckered C2N2 nanosheet with giant anisotropic hole carrier mobility: insights from first-principles10.1039/D0TC03814H ↗
58. Electronic properties of a two-dimensional van der Waals MoGe_2N_4/MoSi_2N_4 heterobilayer: effect of the insertion of a graphene layer and interlayer coupling10.1039/D1RA04531H ↗
59. First-principles study of two-dimensional MoN2X2Y2 (X=B-In, Y=N-Te) nanosheets: The III–VI analogues of MoSi2N4 with peculiar electronic and magnetic properties10.1016/j.apsusc.2022.153317 ↗
60. Switchable large-gap quantum spin Hall state in the two-dimensional MSi2Z4 class of materials10.1103/PhysRevB.106.245149 ↗
61. The hydrogen-induced structural stability and promising electronic properties of molybdenum and tungsten dinitride nanosheets: a first-principles study10.1039/C6TC02161A ↗
62. Accurate and efficient algorithm for Bader charge integration10.1063/1.3553716 ↗
63. Hole- and electron-injection driven phase transitions in transition metal dichalcogenides and beyond: A unified understanding10.1103/PhysRevB.105.024108 ↗
64. Reversible H-T′ phase transition in monolayer molybdenum disulfide via electron beam assisted solid state lithiation/delithiation10.1063/1.5125312 ↗
65. Direct synthesis of metastable phases of 2D transition metal dichalcogenides10.1039/D0CS00143K ↗
66. Strain effects on monolayer MoSi2N4: Ideal strength and failure mechanism10.1016/j.physe.2021.114753 ↗
67. Strain engineering in optoelectronic properties of MoSi2N4 monolayer: ultrahigh tunability10.1088/1361-6641/ac6769 ↗