Multiscale Modeling of Plasmon-Enhanced Power Conversion Efficiency in Nanostructured Solar Cells

Journal of Physical Chemistry Letters

Volumn 6, Issue 21, 2015, Pages 4410-4416

  Meng, Lingyi ^a   Yam, ChiYung ^b,c   Zhang, Yu ^c,d   Wang, Rulin ^b   Chen, GuanHua ^c  

^a XIAMEN UNIVERSITY   (China)

^b BEIJING COMPUTATIONAL SCIENCE RESEARCH CENTER   (China)

^c UNIVERSITY OF HONG KONG   (Hong Kong)

^d NORTHWESTERN UNIVERSITY   (United States)

Author keywords

coupled electrical optical simulation; density functional tight binding method; electron photon interaction; light trapping; localized surface plasmon; metallic nanoparticle; nonequilibrium Green's function

Indexed keywords

CONVERSION EFFICIENCY; CURRENT VOLTAGE CHARACTERISTICS; DOPING (ADDITIVES); EFFICIENCY; ELECTROMAGNETIC WAVE ABSORPTION; LIGHT ABSORPTION; NANOWIRES; OPTICAL PROPERTIES; PLASMONS; QUANTUM THEORY; SOLAR CELLS;

DENSITY FUNCTIONAL TIGHT BINDING METHOD; ELECTRON-PHOTON INTERACTIONS; LIGHT-TRAPPING; LOCALIZED SURFACE PLASMON; METALLIC NANOPARTICLES; NON-EQUILIBRIUM GREEN'S FUNCTION; OPTICAL SIMULATION;

QUANTUM EFFICIENCY;

EID: 84946593610     PISSN: None     EISSN: 19487185     Source Type: Journal    
DOI: 10.1021/acs.jpclett.5b01913     Document Type: Article

References (52)

1. Chu, S.; Majumdar, A. Opportunities and Challenges for a Sustainable Energy Future Nature 2012, 488, 294-303 10.1038/nature11475
2. Green, M. A.; Emery, K.; Hishikawa, Y.; Warta, W.; Dunlop, E. D. Solar Cell Efficiency Tables Prog. Photovoltaics 2015, 23, 1-9 10.1002/pip.2573
3. Wallentin, J.; Anttu, N.; Asoli, D.; Huffman, M.; Åberg, I.; Magnusson, M. H.; Siefer, G.; Fuss-Kailuweit, P.; Dimroth, F.; Witzigmann, B. et al. InP Nanowire Array Solar Cells Achieving 13.8% Efficiency by Exceeding the Ray Optics Limit Science 2013, 339, 1057-1060 10.1126/science.1230969
4. Krogstrup, P.; Jørgensen, H. I.; Heiss, M.; Demichel, O.; Holm, J. V.; Aagesen, M.; Nygard, J.; Morral, A. F. i. Single-Nanowire Solar Cells Beyond the Shockley-Queisser Limit Nat. Photonics 2013, 7, 306-310 10.1038/nphoton.2013.32
5. Atwater, H. A.; Polman, A. Plasmonics for Improved Photovoltaic Devices Nat. Mater. 2010, 9, 205-213 10.1038/nmat2629
6. Garnett, E.; Yang, P. Light Trapping in Silicon Nanowire Solar Cells Nano Lett. 2010, 10, 1082-1087 10.1021/nl100161z
7. Wang, W.; Wu, S.; Reinhardt, K.; Lu, Y.; Chen, S. Broadband Light Absorption Enhancement in Thin-Film Silicon Solar Cells Nano Lett. 2010, 10, 2012-2018 10.1021/nl904057p
8. Kelzenberg, M. D.; Boettcher, S.; Petykiewicz, J. A.; Turner-Evans, D. B.; Putnam, M. C.; L.Warren, E.; Spurgeon, J. M.; Briggs, R. M.; Lewis, N. S.; Atwater, H. A. Enhanced Absorption and Carrier Collection in Si Wire Arrays for Photovoltaic Applications Nat. Mater. 2010, 9, 239-244 10.1038/nmat2635
9. Sundaramurthy, A.; Crozier, K. B.; Kino, G. S.; Fromm, D. P.; Schuck, P. J.; Moerner, W. E. Field Enhancement and Gap-Dependent Resonance in a System of Two Opposing Tip-to-Tip Au Nanotriangles Phys. Rev. B: Condens. Matter Mater. Phys. 2005, 72, 165409 10.1103/PhysRevB.72.165409
10. Chou, C.-H.; Chen, F.-C. Plasmonic Nanostructures for Light Trapping in Organic Photovoltaic Devices Nanoscale 2014, 6, 8444-8458 10.1039/C4NR02191F
11. Rand, B. P.; Peumans, P.; Forrest, S. R. Long-Range Absorption Enhancement in Organic Tandem Thin-Film Solar Cells Containing Silver Nanoclusters J. Appl. Phys. 2004, 96, 7519-7526 10.1063/1.1812589
12. Kim, S.-S.; Na, S.-I.; Jo, J.; Kim, D.-Y.; Nah, Y.-C. Plasmon Enhanced Performance of Organic Solar Cells Using Electrodeposited Ag Nanoparticles Appl. Phys. Lett. 2008, 93, 073307 10.1063/1.2967471
13. Lindquist, N. C.; Luhman, W. A.; Oh, S.-H.; Holmes, R. J. Plasmonic Nanocavity Arrays for Enhanced Efficiency in Organic Photovoltaic Cells Appl. Phys. Lett. 2008, 93, 123308 10.1063/1.2988287
14. Derkacs, D.; Lim, S. H.; Matheu, P.; Mar, W.; Yu, E. T. Improved Performance of Amorphous Silicon Solar Cells Via Scattering from Surface Plasmon Polaritons in Nearby Metallic Nanoparticles Appl. Phys. Lett. 2006, 89, 093103 10.1063/1.2336629
15. Brown, M. D.; Suteewong, T.; Kumar, R. S. S.; D'Innocenzo, V.; Petrozza, A.; Lee, M. M.; Wiesner, U.; Snaith, H. J. Plasmonic Dye-Sensitized Solar Cells Using Core-Shell Metal-Insulator Nanoparticles Nano Lett. 2011, 11, 438-445 10.1021/nl1031106
16. Standridge, S. D.; Schatz, G. C.; Hupp, J. T. Distance Dependence of Plasmon-Enhanced Photocurrent in Dye-Sensitized Solar Cells J. Am. Chem. Soc. 2009, 131, 8407-8409 10.1021/ja9022072
17. Munday, J. N.; Atwater, H. A. Large Integrated Absorption Enhancement in Plasmonic Solar Cells by Combining Metallic Gratings and Antireflection Coatings Nano Lett. 2011, 11, 2195-2201 10.1021/nl101875t
18. Meng, L.; Shang, Y.; Li, Q.; Li, Y.; Zhan, X.; Shuai, Z.; Kimber, R. G. E.; Walker, A. B. Dynamic Monte Carlo Simulation for Highly Efficient Polymer Blend Photovoltaics J. Phys. Chem. B 2010, 114, 36-41 10.1021/jp907167u
19. Meng, L.; Wang, D.; Li, Q.; Yi, Y.; Bredas, J.-L.; Shuai, Z. An Improved Dynamic Monte Carlo Model Coupled with Poisson Equation to Simulate the Performance of Organic Photovoltaic Devices J. Chem. Phys. 2011, 134, 124102 10.1063/1.3569130
20. Shang, Y.; Li, Q.; Meng, L.; Wang, D.; Shuai, Z. Device Simulation of Low-Band Gap Polymer Solar Cells: Influence of Electron-Hole Pair Dissociation and Decay Rates on Open-Circuit Voltage Appl. Phys. Lett. 2010, 97, 143511 10.1063/1.3494527
21. Shuai, Z.; Meng, L.; Jiang, Y. Theoretical Modeling of the Optical and Electrical Processes in Organic Solar Cells. In Progress in High-Efficient Solution Process Organic Photovoltaic Devices; Springer: Berlin/Heidelberg, 2015; Vol. 130, p 101-142.
22. In, S.; Mason, D. R.; Lee, H.; Jung, M.; Lee, C.; Park, N. Enhanced Light Trapping and Power Conversion Efficiency in Ultrathin Plasmonic Organic Solar Cells: A Coupled Optical-Electrical Multiphysics Study on the Effect of Nanoparticle Geometry ACS Photonics 2015, 2, 78185 10.1021/ph500268y
23. Vervisch, W.; Riviére, G.; Vedraine, S.; Biondo, S. p.; Torchio, P.; Duché, D.; Simon, J.-J.; Escoubas, L. Optical-Electrical Simulation of Organic Solar Cells: Influence of Light Trapping by Photonic Crystal and ZnO Spacer on Electrical Characteristics J. Appl. Phys. 2012, 111, 094506 10.1063/1.4712292
24. Li, X.; Hylton, N. P.; Giannini, V.; Lee, K.-H.; Ekins-Daukes, N. J.; Maier, S. A. Bridging Electromagnetic and Carrier Transport Calculations for Three-Dimensional Modelling of Plasmonic Solar Cells Opt. Express 2011, 19, A888 10.1364/OE.19.00A888
25. Zhang, Y.; Meng, L.; Yam, C.; Chen, G. Quantum-Mechanical Prediction of Nanoscale Photovoltaics J. Phys. Chem. Lett. 2014, 5, 1272-1277 10.1021/jz5003154
26. Long, R.; Prezhdo, O. V. Instantaneous Generation of Charge-Separated State on TiO2 Surface Sensitized with Plasmonic Nanoparticles J. Am. Chem. Soc. 2014, 136, 4343-4354 10.1021/ja5001592
27. Chen, H.; McMahon, J. M.; Ratner, M. A.; Schatz, G. C. Classical Electrodynamics Coupled to Quantum Mechanics for Calculation of Molecular Optical Properties: A RT-TDDFT/FDTD Approach J. Phys. Chem. C 2010, 114, 14384-14392 10.1021/jp1043392
28. Lopata, K.; Neuhauser, D. Multiscale Maxwell-Schrödinger Modeling: A Split Field Finite-Difference Time-Domain Approach to Molecular Nanopolaritonics J. Chem. Phys. 2009, 130, 104707 10.1063/1.3082245
29. Sun, J.; Li, G.; Liang, W. How Does the Plasmonic Enhancement of Molecular Absorption Depend on the Energy Gap between Molecular Excitation and Plasmon Modes: A Mixed TDDFT/FDTD Investigation Phys. Chem. Chem. Phys. 2015, 17, 16835-16845 10.1039/C5CP00846H
30. Yam, C.; Meng, L.; Chen, G. H.; Chen, Q.; Wong, N. Multi-scale Quantum Mechanics/Electromagnetics Simulation for Electronic Devices Phys. Chem. Chem. Phys. 2011, 13, 14365-14369 10.1039/c1cp20766k
31. Meng, L.; Yam, C.; Koo, S.; Chen, Q.; Wong, N.; Chen, G. H. Dynamic Multiscale Quantum Mechanics/Electromagnetics Simulation Method J. Chem. Theory Comput. 2012, 8, 1190-1199 10.1021/ct200859h
32. Meng, L.; Yin, Z.; Yam, C.; Koo, S.; Chen, Q.; Wong, N.; Chen, G. Frequency-Domain Multiscale Quantum Mechanics/Electromagnetics Simulation Method J. Chem. Phys. 2013, 139, 244111 10.1063/1.4853635
33. Yam, C.; Meng, L.; Zhang, Y.; Chen, G. A Multiscale Quantum Mechanics/Electromagnetics Method for Device Simulations Chem. Soc. Rev. 2015, 44, 1763-1776 10.1039/C4CS00348A
34. Meuris, P.; Schoenmaker, W.; Magnus, W. Strategy for Electromagnetic Interconnect Modeling IEEE Trans. Comput.-Aided Design 2001, 20, 753-762 10.1109/43.924828
35. Schoenmaker, W.; Meuris, P. Electromagnetic Interconnects and Passives Modeling: Software Implementation Issues IEEE Trans. Comput.-Aided Design 2002, 21, 534-543 10.1109/43.998625
36. Ida, N.; Bastos, J. P. A. Electromagnetics and Calculation of Fields; Springer-Verlag: New York, 1997.
37. Mur, G. Absorbing Boundary Conditions for the Finite-Difference Approximation of the Time-Domain Electromagnetic-Field Equations IEEE Trans. Electromagn. Compat. 1981, EMC-23, 377-382 10.1109/TEMC.1981.303970
38. Georgieva, N.; Yamashita, E. Time-Domain Vector-Potential Analysis of Transmission-Line Problems IEEE Trans. Microwave Theory Tech. 1998, 46, 404-410 10.1109/22.664141
39. Zhang, Y.; Yam, C.; Chen, G. Dissipative Time-Dependent Quantum Transport Theory J. Chem. Phys. 2013, 138, 164121 10.1063/1.4802592
40. Lu, W.; Xiang, J.; Timko, B. P.; Wu, Y.; Lieber, C. M. One-Dimensional Hole Gas in Germanium/Silicon Nanowire Heterostructures Proc. Natl. Acad. Sci. U. S. A. 2005, 102, 10046-10051 10.1073/pnas.0504581102
41. Zuloaga, J.; Prodan, E.; Nordlander, P. Quantum Description of the Plasmon Resonances of a Nanoparticle Dimer Nano Lett. 2009, 9, 887-891 10.1021/nl803811g
42. Esteban, R.; Borisov, A. G.; Nordlander, P.; Aizpurua, J. Bridging Quantum and Classical Plasmonics with a Quantum-Corrected Model Nat. Commun. 2012, 3, 1806 10.1038/ncomms1806
43. Duan, H.; Fernández-Domínguez, A. I.; Bosman, M.; Maier, S. A.; Yang, J. K. W. Nanoplasmonics: Classical Down to the Nanometer Scale Nano Lett. 2012, 12, 1683-1689 10.1021/nl3001309
44. Johnson, P. B.; Christy, R. W. Optical Constants of the Noble Metals Phys. Rev. B 1972, 6, 4370 10.1103/PhysRevB.6.4370
45. Wu, Y.; Cui, Y.; Huynh, L.; Barrelet, C. J.; Bell, D. C.; Lieber, C. M. Controlled Growth and Structures of Molecular-Scale Silicon Nanowires Nano Lett. 2004, 4, 433-436 10.1021/nl035162i
46. Mirza, M. M.; MacLaren, D. A.; Samarelli, A.; Holmes, B. M.; Zhou, H.; Thoms, S.; MacIntyre, D.; Paul, D. J. Determining the Electronic Performance Limitations in Top-Down-Fabricated Si Nanowires with Mean Widths Down to 4 nm Nano Lett. 2014, 14, 6056-6060 10.1021/nl5015298
47. Sieck, A.; Frauenheim, T.; Pederson, M. R.; Jackson, K.; Porezag, D. Structure and Vibrational Spectra of Low-Energy Silicon Clusters Phys. Rev. A: At., Mol., Opt. Phys. 1997, 56, 4890-4898 10.1103/PhysRevA.56.4890
48. Frauenheim, T.; Seifert, G.; Elstner, M.; Niehaus, T.; Kohler, C.; Amkreutz, M.; Sternberg, M.; Hajnal, Z.; Di Carlo, A.; Suhai, S. Atomistic Simulations of Complex Materials: Ground-State and Excited-State Properties J. Phys.: Condens. Matter 2002, 14, 3015-3047 10.1088/0953-8984/14/11/313
49. Li, X.; Choy, W. C. H.; Lu, H.; Sha, W. E. I.; Ho, a. H. P. Efficiency Enhancement of Organic Solar Cells by Using Shape-Dependent Broadband Plasmonic Absorption in Metallic Nanoparticles Adv. Funct. Mater. 2013, 23, 2728-2735 10.1002/adfm.201202476
50. Klaus, G. Metal Impurities in Silicon-Device Fabrication; Springer-Verlag: Berlin/Heidelberg, 2000.
51. Cuevas, A.; Kerr, M. J.; Samundsett, C.; Ferrazza, F.; Coletti, G. Millisecond Minority Carrier Lifetimes in N-Type Multicrystalline Silicon Appl. Phys. Lett. 2002, 81, 4952-4954 10.1063/1.1529089
52. Cotter, J. E.; Guo, J. H.; Cousins, P. J.; Abbott, M. D.; Chen, F. W.; Fisher, K. C. P-Type Versus N-Type Silicon Wafers: Prospects for High-Efficiency Commercial Silicon Solar Cells IEEE Trans. Electron Devices 2006, 53, 1893-1901 10.1109/TED.2006.878026