A charge-orbital balance picture of doping in colloidal quantum dot solids

ACS Nano

Volumn 6, Issue 9, 2012, Pages 8448-8455

  Voznyy, Oleksandr ^a   Zhitomirsky, David ^a   Stadler, Philipp ^a   Ning, Zhijun ^a   Hoogland, Sjoerd ^a   Sargent, Edward H ^a  

^a UNIVERSITY OF TORONTO   (Canada)

Author keywords

colloidal quantum dots; DFT; doping; FET; PbS nanocrystals; RBS

Indexed keywords

COLLOIDAL QUANTUM DOTS; DFT; FET; PBS NANOCRYSTAL; RBS;

CARRIER CONCENTRATION; CHEMICAL ANALYSIS; DENSITY FUNCTIONAL THEORY; DOPING (ADDITIVES); FIELD EFFECT TRANSISTORS; PHOTOELECTRONS; RUTHERFORD BACKSCATTERING SPECTROSCOPY; SEMICONDUCTOR QUANTUM DOTS; STOICHIOMETRY; X RAY PHOTOELECTRON SPECTROSCOPY;

SEMICONDUCTOR DOPING;

QUANTUM DOT;

ARTICLE; ARTIFICIAL MEMBRANE; CHEMICAL MODEL; CHEMISTRY; COLLOID; COMPUTER SIMULATION; MATERIALS TESTING; STATIC ELECTRICITY;

COLLOIDS; COMPUTER SIMULATION; MATERIALS TESTING; MEMBRANES, ARTIFICIAL; MODELS, CHEMICAL; QUANTUM DOTS; STATIC ELECTRICITY;

EID: 84866679669     PISSN: 19360851     EISSN: 1936086X     Source Type: Journal    
DOI: 10.1021/nn303364d     Document Type: Article

References (49)

1. Pattantyus-Abraham, A. G.; Kramer, I. J.; Barkhouse, A. R.; Wang, X.; Konstantatos, G.; Debnath, R.; Levina, L.; Raabe, I.; Nazeeruddin, M. K.; Gratzel, M. et al. Depleted-Heterojunction Colloidal Quantum Dot Solar Cells ACS Nano 2010, 4, 3374-3380
2. Li, Y. Q.; Rizzo, A.; Cingolani, R.; Gigli, G. Bright White-Light-Emitting Device from Ternary Nanocrystal Composites Adv. Mater. 2006, 18, 2545-2548
3. Geyer, S. M.; Allen, P. M.; Chang, L.-Y.; Wong, C. R.; Osedach, T. P.; Zhao, N.; Bulovic, V.; Bawendi, M. G. Control of the Carrier Type in InAs Nanocrystal Films by Predeposition Incorporation of Cd ACS Nano 2010, 4, 7373-7378
4. Caruge, J. M.; Halpert, J. E.; Wood, V.; Bulovic, V.; Bawendi, M. G. Colloidal Quantum-Dot Light-Emitting Diodes with Metal-Oxide Charge Transport Layers Nat. Photon. 2008, 2, 247-250
5. Luther, J. M.; Law, M.; Beard, M. C.; Song, Q.; Reese, M. O.; Ellingson, R. J.; Nozik, A. J. Schottky Solar Cells Based on Colloidal Nanocrystal Films Nano Lett. 2008, 8, 3488-3492
6. 1- x Nanocrystals Nano Lett. 2009, 9, 1699-1703
7. Pearson, G. L.; Bardeen, J. Electrical Properties of Pure Silicon and Silicon Alloys Containing Boron and Phosphorus Phys. Rev. 1949, 75, 865-883
8. Kohn, W. Shallow Impurity States in Silicon and Germanium Solid State Physics 1957, 5, 257-320
9. Shockley, W.; Queisser, H. J. Detailed Balance Limit of Efficiency of p-n Junction Solar Cells J. Appl. Phys. 1961, 32, 510-519
10. Talapin, D. V.; Murray, C. B. PbSe Nanocrystal Solids for n- and p-Channel Thin Film Field-Effect Transistors Science 2005, 310, 86-89
11. Sahu, A.; Kang, M. S.; Kompch, A.; Notthoff, C.; Wills, A. W.; Deng, D.; Winterer, M.; Frisbie, C. D.; Norris, D. J. Electronic Impurity Doping in CdSe Nanocrystals Nano Lett. 2012, 12, 2587-2594
12. Choi, J.-H.; Fafarman, A. T.; Oh, S. J.; Ko, D.-K.; Kim, D. K.; Diroll, B. T.; Muramoto, S.; Gillen, J. G.; Murray, C. B.; Kagan, C. R. Bandlike Transport in Strongly Coupled and Doped Quantum Dot Solids: A Route to High-Performance Thin-Film Electronics Nano Lett. 2012, 12, 2631-2638
13. Shim, M.; Guyot-Sionnest, P. N-Type Colloidal Semiconductor Nanocrystals Nature 2000, 407, 981-983
14. Nag, A.; Chung, D. S.; Dolzhnikov, D. S.; Dimitrijevic, N. M.; Chattopadhyay, S.; Shibata, T.; Talapin, D. V. The Effect of Metal Ions on Photoluminescence, Charge Transport, Magnetic and Catalytic Properties of All-Inorganic Colloidal Nanocrystals and Nanocrystal Solids J. Am. Chem. Soc. 2012, 134, 13604-13615
15. Norris, D. J.; Efros, A. L.; Erwin, S. C. Doped Nanocrystals Science 2008, 319, 1776-1779
16. Mocatta, D.; Cohen, G.; Schattner, J.; Millo, O.; Rabani, E.; Banin, U. Heavily Doped Semiconductor Nanocrystal Quantum Dots Science 2011, 332, 77-81
17. Liu, H.; Keuleyan, S.; Guyot-Sionnest, P. N- and p-Type HgTe Quantum Dot Films J. Phys. Chem. C 2011, 116, 1344-1349
18. Osedach, T. P.; Zhao, N.; Andrew, T. L.; Brown, P. R.; Wanger, D. D.; Strasfeld, D. B.; Chang, L.-Y.; Bawendi, M. G.; Bulović, V. Bias-Stress Effect in 1,2-Ethanedithiol-Treated PbS Quantum Dot Field-Effect Transistors ACS Nano 2012, 6, 3121-3127
19. Murrel, J. N.; Kettle, S. F.; Tedder, J. M. The Chemical Bond, 2 nd ed.; John Wiley and Sons: New York, 1985.
20. An, J. M.; Franceschetti, A.; Dudiy, S. V.; Zunger, A. The Peculiar Electronic Structure of PbSe Quantum Dots Nano Lett. 2006, 6, 2728-2735
21. Boguslawski, P.; Gorczyca, I. Atomic-Orbital Interpretation of Electronic Structure of III-V Semiconductors: GaAs versus AlAs Semicond. Sci. Technol. 1994, 9, 2169
22. Hoffmann, R. A Chemical and Theoretical Way To Look at Bonding on Surfaces Rev. Mod. Phys. 1988, 60, 601-628
23. Sze, S. Physics of Semiconductor Devices; Wiley: New York, 1981.
24. Mavros, M. G.; Micha, D. A.; Kilin, D. S. Optical Properties of Doped Silicon Quantum Dots with Crystalline and Amorphous Structures J. Phys. Chem. C 2011, 115, 19529-19537
25. Fischer, S. A.; Prezhdo, O. V. Dopant Effects on Single and Multiple Excitons in Small Si Clusters: High-Level ab Initio Calculations J. Phys. Chem. C 2011, 115, 10006-10011
26. Kilina, S.; Velizhanin, K. A.; Ivanov, S.; Prezhdo, O. V.; Tretiak, S. Surface Ligands Increase Photoexcitation Relaxation Rates in CdSe Quantum Dots ACS Nano 2012, 6, 6515-6524
27. Gurin, V. S. A Variety of Metal Chalcogenide Clusters: MOLCAO Calculations and Interplay between Quantum-Sized Semiconductors and Multinuclear Complexes Colloids Surf., A 2002, 202, 215-222
28. z- Clusters J. Am. Chem. Soc. 1988, 110, 4863-4864
29. Frenzel, J.; Joswig, J.-O.; Seifert, G. Optical Excitations in Cadmium Sulfide Nanoparticles J. Phys. Chem. C 2007, 111, 10761-10770
30. Voznyy, O. Mobile Surface Traps in CdSe Nanocrystals with Carboxylic Acid Ligands J. Phys. Chem. C 2011, 115, 15927-15932
31. Feng, P.; Bu, X.; Zheng, N. The Interface Chemistry Between Chalcogenide Clusters and Open Framework Chalcogenides Acc. Chem. Res. 2004, 38, 293-303
32. Moreels, I.; Justo, Y.; Geyter, B.; De; Haustraete, K.; Martins, J. C.; Hens, Z. Size-Tunable, Bright, and Stable PbS Quantum Dots: A Surface Chemistry Study ACS Nano 2011, 5, 2004-2012
33. Fritzinger, B.; Capek, R. K.; Lambert, K.; Martins, J. C.; Hens, Z. Utilizing Self-Exchange To Address the Binding of Carboxylic Acid Ligands to CdSe Quantum Dots J. Am. Chem. Soc. 2010, 132, 10195-10201
34. Gao, J.; Luther, J. M.; Semonin, O. E.; Ellingson, R. J.; Nozik, A. J.; Beard, M. C. Quantum Dot Size Dependent J - V Characteristics in Heterojunction ZnO/PbS Quantum Dot Solar Cells Nano Lett. 2011, 11, 1002-1008
35. Leschkies, K. S.; Beatty, T. J.; Kang, M. S.; Norris, D. J.; Aydil, E. S. Solar Cells Based on Junctions between Colloidal PbSe Nanocrystals and Thin ZnO Films ACS Nano 2009, 3, 3638-3648
36. Tang, J.; Kemp, K. W.; Hoogland, S.; Jeong, K. S.; Liu, H.; Levina, L.; Furukawa, M.; Wang, X.; Debnath, R.; Cha, D. et al. Colloidal-Quantum-Dot Photovoltaics Using Atomic-Ligand Passivation Nat. Mater. 2011, 10, 765-771
37. Kwan, S. H.; Colozzi, C. G.; Linz, A. Halogen Vapor-Deposition of Chalcogenide Crystals-Lead Sulfide J. Appl. Phys. 1974, 3273-3276
38. Peng, H.; Song, J.-H.; Kanatzidis, M. G.; Freeman, A. J. Electronic Structure and Transport Properties of Doped PbSe Phys. Rev. B 2011, 84, 125207
39. Puzder, A.; Williamson, A. J.; Gygi, F.; Galli, G. Self-Healing of CdSe Nanocrystals: First-Principles Calculations Phys. Rev. Lett. 2004, 92, 217401
40. Yu, M.; Fernando, G. W.; Li, R.; Papadimitrakopoulos, F.; Shi, N.; Ramprasad, R. First Principles Study of CdSe Quantum Dots: Stability, Surface Unsaturations, and Experimental Validation Appl. Phys. Lett. 2006, 88, 231910-3
41. Yu, D.; Wang, C.; Guyot-Sionnest, P. n-Type Conducting CdSe Nanocrystal Solids Science 2003, 300, 1277-1280
42. Zunger, A. Practical Doping Principles Appl. Phys. Lett. 2003, 83, 57-59
43. Zhitomirsky, D.; Furukawa, M.; Tang, J.; Sadler, P.; Hoogland, S.; Voznyy, O.; Liu, H.; Sargent, E. H. N-Type Colloidal Quantum Dot Solids for Photovoltaics Adv. Mater. 2012, DOI:10.1002/adma.201202825
44. Harada, R. H.; Minden, H. T. Photosensitization of PbS Films Phys. Rev. 1956, 102, 1258-1262
45. Kutana, A.; Erwin, S. C. PbSe Nanocrystals Remain Intrinsic after Surface Adsorption of Hydrazine Phys. Rev. B 2011, 83, 235419
46. Hines, M. A.; Scholes, G. D. Colloidal PbS Nanocrystals with Size-Tunable Near-Infrared Emission: Observation of Post-Synthesis Self-Narrowing of the Particle Size Distribution Adv. Mater. 2003, 15, 1844-1849
47. Mayer, M. SIMNRA, A Simulation Program for the Analysis of NRA, RBS, and ERDA AIP Conf. Proc. 1999, 475, 541-544
48. Soler, J. M.; Artacho, E.; Gale, J. D.; García, A.; Junquera, J.; Ordejón, P.; Sánchez-Portal, D. The SIESTA Method for ab Initio Order-N Materials Simulation J. Phys.: Condens. Matter. 2002, 14, 2745
49. Loken, C.; Gruner, D.; Groer, L.; Peltier, R.; Bunn, N.; Craig, M.; Henriques, T.; Dempsey, J.; Yu, C.-H.; Chen, J. et al. SciNet: Lessons Learned from Building a Power-Efficient Top-20 System and Data Centre J. Phys.: Conf. Ser. 2010, 256, 012026