Structural phase transitions by design in monolayer alloys

ACS Nano

Volumn 10, Issue 1, 2016, Pages 289-297

  Duerloo, Karel Alexander N ^a   Reed, Evan J ^a  

^a Stanford University   (United States)

Author keywords

Cluster expansion; Molybdenum ditelluride; Phase diagram; Phase transition; Two dimensional material

Indexed keywords

DENSITY FUNCTIONAL THEORY; ELECTRONIC PROPERTIES; ENERGY UTILIZATION; MONOLAYERS; PHASE CHANGE MEMORY; PHASE DIAGRAMS; PHASE TRANSITIONS;

BULK MATERIALS; CLUSTER EXPANSION; MOLYBDENUM DITELLURIDE; STATE OF THE ART; STRUCTURAL PHASE TRANSITION; TEMPERATURE COMPOSITION; TWO-DIMENSIONAL MATERIALS;

PHASE CHANGE MATERIALS;

EID: 84989291156     PISSN: 19360851     EISSN: 1936086X     Source Type: Journal    
DOI: 10.1021/acsnano.5b04359     Document Type: Article

References (51)

1. Novoselov, K. S.; Jiang, D.; Schedin, F.; Booth, T. J.; Khotkevich, V. V.; Morozov, S. V.; Geim, A. K. Two-Dimensional Atomic Crystals. Proc. Natl. Acad. Sci. U. S. A. 2005, 102, 10451-10453.
2. Butler, S. Z.; Hollen, S. M.; Cao, L.; Cui, Y.; Gupta, J. A.; Gutiérrez, H. R.; Heinz, T. F.; Hong, S. S.; Huang, J.; Ismach, A. F.; et al.et al. Progress, Challenges, and Opportunities in Two-Dimensional Materials Beyond Graphene. ACS Nano 2013, 7, 2898-2926.
3. 2 Light-Emitting Transistors. Nano Lett. 2014, 14, 2019-2025.
4. Wang, Q. H.; Kalantar-Zadeh, K.; Kis, A.; Coleman, J. N.; Strano, M. S. Electronics and Optoelectronics of Two-Dimensional Transition Metal Dichalcogenides. Nat. Nanotechnol. 2012, 7, 699-712.
5. 2 Transistors. Nat. Nanotechnol. 2011, 6, 147-150.
6. Terrones, H.; Lopez-Urias, F.; Terrones, M. Novel Hetero-Layered Materials with Tunable Direct Band Gaps by Sandwiching Different Metal Disulfides and Diselenides. Sci. Rep. 2013, DOI: 10.1038/srep01549.
7. 2 Nanosheets for Hydrogen Evolution. Nat. Mater. 2013, 12, 850-855.
8. 2 Edge Site Mimic for Catalytic Hydrogen Generation. Science 2012, 335, 698-702.
9. 2 by Optical Helicity. Nat. Nanotechnol. 2012, 7, 494-498.
10. 2 Monolayers by Optical Pumping. Nat. Nanotechnol. 2012, 7, 490-493.
11. 2 for Energy Conversion and Piezotronics. Nature 2014, 514, 470-474.
12. 2. Nat. Nanotechnol. 2015, 10, 151-155.
13. Duerloo, K.-A. N.; Ong, M. T.; Reed, E. J. Intrinsic Piezoelectricity in Two-Dimensional Materials. J. Phys. Chem. Lett. 2012, 3, 2871-2876.
14. 2. ACS Nano 2012, 6, 7311-7317.
15. Duerloo, K.-A. N.; Li, Y.; Reed, E. J. Structural Phase Transitions in Two-Dimensional Mo- and W-Dichalcogenide Monolayers. Nat. Commun. 2014, DOI: 10.1038/ncomms5214.
16. 2. Nat. Phys. 2015, 11, 482-486.
17. 2. Phys. Rev. B: Condens. Matter Mater. Phys. 1991, 43, 12053-12056.
18. 2 in Aqueous Suspension. Phys. Rev. B: Condens. Matter Mater. Phys. 2002, 65, 125407.
19. 2. Nat. Nanotechnol. 2014, 9, 391-396.
20. Park, J. C.; Yun, S. J.; Kim, H.; Park, J.-H.; Chae, S. H.; An, S.-J.; Kim, J.-G.; Kim, S. M.; Kim, K. K.; Lee, Y. H. Phase-Engineered Synthesis of Centimeter-Scale 1T′- and 2H-Molybdenum Ditelluride Thin Films. ACS Nano 2015, DOI: 10.1021/acsnano.5b02511.
21. 2. J. Solid State Chem. 1970, 2, 299-302.
22. Raoux, S.; Xiong, F.; Wuttig, M.; Pop, E. Phase Change Materials and Phase Change Memory. MRS Bull. 2014, 39, 703-710.
23. 2 Transistors. Nat. Mater. 2014, 13, 1128-1134.
24. Wilson, J. A.; Yoffe, A. D. The Transition Metal Dichalcogenides Discussion and Interpretation of the Observed Optical, Electrical and Structural Properties. Adv. Phys. 1969, 18, 193-335.
25. 2. Acta Crystallogr. 1966, 20, 268-274.
26. 2 Elucidated by Electron Crystallography. J. Am. Chem. Soc. 1999, 121, 638-643.
27. Chhowalla, M.; Shin, H. S.; Eda, G.; Li, L.-J.; Loh, K. P.; Zhang, H. The Chemistry of Two-Dimensional Layered Transition Metal Dichalcogenide Nanosheets. Nat. Chem. 2013, 5, 263-275.
28. 2. Nano Lett. 2011, 11, 5111-5116.
29. Gao, G.; Jiao, Y.; Ma, F.; Jiao, Y.; Waclawik, E.; Du, A. Charge Mediated Semiconducting-to-Metallic Phase Transition in Molybdenum Disulfide Monolayer and Hydrogen Evolution Reaction in New 1T′ Phase. J. Phys. Chem. C 2015, 119, 13124-13128.
30. 2 Monolayer. J. Phys. Chem. C 2014, 118, 1515-1522.
31. Berens, P. H.; Mackay, D. H. J.; White, G. M.; Wilson, K. R. Thermodynamics and Quantum Corrections from Molecular Dynamics for Liquid Water. J. Chem. Phys. 1983, 79, 2375-2389.
32. Chen, Y.; Xi, J.; Dumcenco, D. O.; Liu, Z.; Suenaga, K.; Wang, D.; Shuai, Z.; Huang, Y.-S.; Xie, L. Tunable Band Gap Photoluminescence from Atomically Thin Transition-Metal Dichalcogenide Alloys. ACS Nano 2013, 7, 4610-4616.
33. Zhang, M.; Wu, J.; Zhu, Y.; Dumcenco, D. O.; Hong, J.; Mao, N.; Deng, S.; Chen, Y.; Yang, Y.; Jin, C.; et al.et al. Two-Dimensional Molybdenum Tungsten Diselenide Alloys: Photoluminescence, Raman Scattering, and Electrical Transport. ACS Nano 2014, 8, 7130-7137.
34. 2(1-x) Nanosheets with Fully Tunable Chemical Compositions and Optical Properties. J. Am. Chem. Soc. 2014, 136, 3756-3759.
35. Kutana, A.; Penev, E. S.; Yakobson, B. I. Engineering Electronic Properties of Layered Transition-Metal Dichalcogenide Compounds through Alloying. Nanoscale 2014, 6, 5820-5825.
36. Komsa, H.-P.; Krasheninnikov, A. V. Two-Dimensional Transition Metal Dichalcogenide Alloys: Stability and Electronic Properties. J. Phys. Chem. Lett. 2012, 3, 3652-3656.
37. 2. Appl. Phys. Lett. 2014, 104, 012101.
38. Kang, J.; Tongay, S.; Li, J.; Wu, J. Monolayer Semiconducting Transition Metal Dichalcogenide Alloys: Stability and Band Bowing. J. Appl. Phys. 2013, 113, 143703.
39. Ubaldini, A.; Jacimovic, J.; Ubrig, N.; Giannini, E. Chloride-Driven Chemical Vapor Transport Method for Crystal Growth of Transition Metal Dichalcogenides. Cryst. Growth Des. 2013, 13, 4453-4459.
40. Al-Hilli, A. A.; Evans, B. L. The Preparation and Properties of Transition Metal Dichalcogenide Single Crystals. J. Cryst. Growth 1972, 15, 93-101.
41. 2 Crystals. Nano Lett. 2014, 14, 6231-6236.
42. 2. Nano Lett. 2015, 15, 2336-2342.
43. 2. Br. J. Appl. Phys. 1965, 16, 1035.
44. 2. Chem. Mater. 1997, 9, 879-882.
45. 5 and Its Crystallization by Ultrafast-Heating Calorimetry. Nat. Mater. 2012, 11, 279-283.
46. Imada, M.; Fujimori, A.; Tokura, Y. Metal-Insulator Transitions. Rev. Mod. Phys. 1998, 70, 1039-1263.
47. Drautz, R.; Díaz-Ortiz, A. Obtaining Cluster Expansion Coefficients in ab Initio Thermodynamics of Multicomponent Lattice-Gas Systems. Phys. Rev. B: Condens. Matter Mater. Phys. 2006, 73, 224207.
48. Wannier, G. H. Antiferromagnetism. The Triangular Ising Net. Phys. Rev. 1950, 79, 357-364.
49. Kresse, G.; Joubert, D. From Ultrasoft Pseudopotentials to the Projector Augmented-Wave Method. Phys. Rev. B: Condens. Matter Mater. Phys. 1999, 59, 1758-1775.
50. Kresse, G.; Furthmüller, J. Efficient Iterative Schemes for ab Initio Total-Energy Calculations Using a Plane-Wave Basis Set. Phys. Rev. B: Condens. Matter Mater. Phys. 1996, 54, 11169-11186.
51. 2 at High Pressures. Phys. Rev. B: Condens. Matter Mater. Phys. 2008, 78, 134106.