Photovoltaic heterojunctions of fullerenes with MoS2 and WS 2 monolayers

Journal of Physical Chemistry Letters

Volumn 5, Issue 8, 2014, Pages 1445-1449

  Gan, Li Yong ^a   Zhang, Qingyun ^a   Cheng, Yingchun ^a   Schwingenschlögl, Udo ^a  

^a KING ABDULLAH UNIVERSITY OF SCIENCE AND TECHNOLOGY   (Saudi Arabia)

Author keywords

band offset; monolayer; photovoltaic heterojunction

Indexed keywords

CALCULATIONS; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; FULLERENES; MOLYBDENUM COMPOUNDS; MONOLAYERS; SOLAR CELLS;

BAND OFFSETS; PHOTOVOLTAIC;

HETEROJUNCTIONS;

EID: 84899017773     PISSN: None     EISSN: 19487185     Source Type: Journal    
DOI: 10.1021/jz500344s     Document Type: Article

References (38)

1. Bernardi, M.; Palummo, M.; Grossman, J. C. Semiconducting Monolayer Materials As a Tunable Platform for Excitonic Solar Cells ACS Nano 2012, 6, 10082-10089
2. Green, M. A.; Emery, K.; Hishikawa, Y.; Warta, W.; Dunlop, E. D. Solar Cell Efficiency Tables (version 42) Prog. Photovoltaics 2013, 21, 827-837
3. Gregg, B. A. Excitonic Solar Cells J. Phys. Chem. B 2003, 107, 4688-4698
4. 2 Siligraphene and Nanotubes: Novel Donor Materials in Excitonic Solar Cells Nano Lett. 2013, 13, 5431-5436
5. 2(110) Surface May Not Form an Efficient Photovoltaic Heterojunction: First-Principles Investigation of Electronic Structures J. Phys. Chem. Lett. 2013, 4, 2223-2229
6. 2/Carbon Nanotube Heterojunctions: Density Functional Theory Calculations J. Phys. Chem. Lett. 2013, 4, 1340-1346
7. 2 Transistors Nat. Nanotechnol. 2011, 6, 147-150
8. Cao, T.; Wang, G.; Han, W.; Ye, H.; Zhu, C.; Shi, J.; Niu, Q.; Tan, P.; Wang, E.; Liu, B. Valley-Selective Circular Dichroism of Monolayer Molybdenum Disulphide Nat. Commun. 2012, 3, 887
9. 2: A New Direct-Gap Semiconductor Phys. Rev. Lett. 2010, 105, 136805
10. Johari, P.; Shenoy, V. B. Tunable Dielectric Properties of Transition Metal Dichalcogenides ACS Nano 2011, 5, 5903-5908
11. 2 Phototransistors ACS Nano 2012, 6, 74-80
12. 2 Nat. Mater. 2013, 12, 207-211
13. 2 ACS Nano 2011, 5, 9703-9709
14. 2 Thin-Film Transistors with Ion Gel Dielectrics Nano Lett. 2012, 12, 4013-4017
15. 2 Nanosheets Adv. Mater. 2012, 24, 772-775
16. 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
17. 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
18. 2 MOSFETs ACS Nano 2012, 6, 8563-8569
19. 2 Transistors Appl. Phys. Lett. 2013, 102, 173107
20. Feng, J.; Qian, X.; Huang, C.-W.; Li, J. Strain-Engineered Artificial Atom As a Broad-Sectrum Solar Energy Funnel Nat. Photonics 2012, 6, 866-872
21. Shanmugam, M.; Bansal, T.; Durcan, C. A.; Yu, B. Schottky-Barrier Solar Cell Based on Layered Semiconductor Tungsten Disulfide Nanofilm Appl. Phys. Lett. 2012, 101, 263902
22. Bernardi, M.; Palummo, M.; Grossman, J. C. Extraordinary Sunlight Absorption and One Nanometer Thick Photovoltaics Using Two-Dimensional Monolayer Materials Nano Lett. 2013, 13, 3664-3670
23. 2 Nanoparticles J. Am. Chem. Soc. 2012, 134, 6575-6578
24. Hou, Y.; Laursen, A. B.; Zhang, J.; Zhang, G.; Zhu, Y.; Wang, X.; Dahl, S.; Chorkendorff, I. Layered Nanojunctions for Hydrogen-Evolution Catalysis Angew. Chem., Int. Ed. 2013, 52, 3621-3625
25. 2 Sheet ACS Nano 2013, 7, 7126-7131
26. Johari, P.; Shenoy, V. B. Tuning the Electronic Properties of Semiconducting Transition Metal Dichalcogenides by Applying Mechanical Strains ACS Nano 2012, 6, 5449-5456
27. Xi, J.; Zhao, T.; Wang, D.; Shuai, Z. Tunable Electronic Properties of Two-Dimensional Transition Metal Dichalcogenide Alloys: A First-Principles Prediction J. Phys. Chem. Lett. 2013, 285-291
28. 60 Crystals Adv. Mater. 2005, 17, 911-914
29. 60 Phys. Status Solidi B 2010, 247, 3033-3034
30. Franceschetti, A. Nanostructured Materials for Improved Photoconversion MRS Bull. 2011, 36, 192-197
31. Kresse, G.; Furthmüller, J. Efficiency of Ab-Initio Total Energy Calculations for Metals and Semiconductors Using a Plane-Wave Basis Set Comput. Mater. Sci. 1996, 6, 15-50
32. Grimme, S. Semiempirical GGA-Type Density Functional Constructed with a Long-Range Dispersion Correction J. Comput. Chem. 2006, 27, 1787-1799
33. Bucko, T.; Hafner, J.; Lebegue, S.; ángyán, J. G. Improved Description of the Structure of Molecular and Layered Crystals: Ab Initio DFT Calculations with van der Waals Corrections J. Phys. Chem. A 2010, 114, 11814-11824
34. 60: Experiment and Theory Phys. Rev. Lett. 1991, 66, 1741-1744
35. Simon, F.; Kuzmany, H.; Náfrádi, B.; Fehér, T.; Forró, L.; Fülöp, F.; Jánossy, A.; Korecz, L.; Rockenbauer, A.; Hauke, F. Magnetic Fullerenes inside Single-Wall Carbon Nanotubes Phys. Rev. Lett. 2006, 97, 136801
36. Du, A.; Sanvito, S.; Li, Z.; Wang, D.; Jiao, Y.; Liao, T.; Sun, Q.; Ng, Y. H.; Zhu, Z.; Amal, R. Hybrid Graphene and Graphitic Carbon Nitride Nanocomposite: Gap Opening, Electron-Hole Puddle, Interfacial Charge Transfer, and Enhanced Visible Light Response J. Am. Chem. Soc. 2012, 134, 4393-4397
37. 60 Monolayer on Ag(111) and Au(111) Surfaces Phys. Rev. B 2004, 69, 165417
38. 2 (Y = F and OH) All-2D Semiconductor/Metal Contacts Phys. Rev. B 2013, 87, 245307