Theoretical study of atomic layer deposition reaction mechanism and kinetics for aluminum oxide formation at graphene nanoribbon open edges

Journal of Physical Chemistry C

Volumn 114, Issue 23, 2010, Pages 10505-10511

  Xu, Kun ^a   Ye, Peide D ^a  

^a PURDUE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO; ADSORPTION COMPLEX; ADSORPTION PROCESS; ADSORPTION RATES; ADSORPTION REACTION; ALUMINUM OXIDES; ATOMIC LAYER; CHEMICAL ADSORPTION; DISSOCIATION PROCESS; DISSOCIATION REACTIONS; ELECTRICAL AND MAGNETIC PROPERTY; EXPERIMENTAL CONDITIONS; GRAPHENE NANO-RIBBON; GRAPHENE NANORIBBONS; MODEL REACTIONS; OPEN EDGES; POTENTIAL BARRIERS; POTENTIAL ENERGY PROFILES; PRESSURE RANGES; RATE THEORY; REACTION TEMPERATURE; SOLID-GAS INTERFACE; TEMPERATURE RANGE; THEORETICAL PREDICTION; THEORETICAL STUDY; TRANSITION STATE; ZIGZAG EDGES;

ADSORPTION; ALUMINUM COATINGS; ATOMIC LAYER DEPOSITION; DENSITY FUNCTIONAL THEORY; DISSOCIATION; ELECTRIC PROPERTIES; GRAPHENE; GRAPHITE; MAGNETIC PROPERTIES; PHASE INTERFACES;

REACTION RATES;

EID: 77953488967     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp101387g     Document Type: Article

References (29)

1. Geim, A. K.; Novoselov, K. S. Nat. Mater. 2007, 6, 183
2. Novoselov, K. S.; Geim, A. K.; Morozov, S. V.; Jiang, D.; Zhang, Y.; Dubonos, S. V.; Grigorieva, I. V.; Firsov, A. A. Science 2004, 306, 666
3. Zhang, Y.; Tan, Y. W.; Stormer, H. L.; Kim, P. Nature 2005, 438, 201
4. Berger, C.; Song, Z.; Li, X.; Wu, X.; Brown, N.; Naud, C.; Mayou, D.; Li, T.; Hass, J.; Marchenkov, A. N.; Conrad, E. H.; First, P. N.; de Heer, W. A. Science 2006, 312, 1191
5. Wu, Y. Q.; Ye, P. D.; Capano, M. A.; Xuan, Y.; Sui, Y.; Qi, M.; Cooper, J. A.; Shen, T.; Pandey, D.; Prakash, G.; Reifenberger, R. Appl. Phys. Lett. 2008, 92 092102
6. Shen, T.; Gu, J. J.; Xu, M.; Wu, Y. Q.; Bolen, M. L.; Capano, M. A.; Engel, L. W.; Ye, P. D. Appl. Phys. Lett. 2009, 95, 172105
7. Kim, K. S.; Zhao, Y.; Jang, H.; Lee, S. Y.; Kim, J. M.; Kim, K. S.; Ahn, J.-H.; Kim, P.; Choi, J.-Y.; Hee Hong, B. H. Nature 2009, 457, 706
8. Reina, A.; Jia, X.; Ho, J.; Nezich, D.; Son, H.; Bulovic, V.; Dresselhaus, M. S.; Kong, J. Nano Lett. 2009, 9, 30
9. Yu, Q.; Lian, J.; Siriponglert, S.; Li, H.; Chen, Y. P.; Pei, S.-S. Appl. Phys. Lett. 2008, 93, 113103
10. Li, X.; Cai, X.; An, J.; Kim, S.; Nah, J.; Yang, D.; Piner, R.; Velamakanni, A.; Jung, I.; Tutuc, E.; Banerjee, S. K.; Colombo, L.; Ruoff, R. S. Science 2009, 324, 1312
11. Han, M. Y.; Brant, J. C.; Kim, P. Phys. Rev. Lett. 2010, 104 056801
12. Wang, X. R.; Ouyang, Y. J.; Li, X. L.; Wang, H. L.; Guo, J.; Dai, H. J. Phys. Rev. Lett. 2008, 100, 206803
13. Liang, G. C.; Neophytou, N.; Nikonov, D. E.; Lundstrom, M. S. IEEE Trans. Electron Devices 2007, 54, 677
14. Puurunen, R. L. J. Appl. Phys. 2005, 97, 121301
15. Xuan, Y.; Wu, Y.; Shen, Q.; Qi, T. M.; Capano, M. A.; Cooper, J. A.; Ye, P. D. Appl. Phys. Lett. 2008, 92 013101
16. Wang, X.; Tabakman, S. M.; Dai, H. J. Am. Chem. Soc. 2008, 130, 8152
17. Aarik, J.; Aidla, A.; Jaek, A.; Kiisler, A. A.; Tammik, A. A. Acta Polytech. Scand., Chem. Technol. Metall. Ser. 1990, 195, 201
18. Elliott, S. D.; Scarel, G.; Wiemer, C.; Fanciulli, M.; Pavia, G. Chem. Mater. 2006, 18, 3764
19. Williams, J. R.; DiCarlo, L.; Marcus, C. M. Science 2007, 317, 638
20. Widjaja, Y.; Musgrave, C. B. Appl. Phys. Lett. 2002, 80, 3304
21. Heyman, A.; Musgrave, C. B. J. Phys. Chem. B 2004, 108, 5718
22. Elliott, S. D.; Greer, J. C. J. Mater. Chem. 2004, 14, 3246
23. Lee, C.; Yang, W.; Parr, R. G. Phys. Rev. B 1988, 37, 785
24. Miehlich, B.; Savin, A.; Stoll, H.; Preuss, H. Chem. Phys. Lett. 1989, 157, 200
25. Becke, A. D. J. Chem. Phys. 1993, 98, 5648
26. Fukui, K. Acc. Chem. Res. 1981, 14, 363
27. Hratchian, H. P.; Schlegel, H. B. In Theory and Applications of Computational Chemistry: The First 40 Years; Dykstra, C. E.; Frenking, G.; Kim, K. S.; Scuseria, G., Eds.; Elsevier: Amsterdam, The Netherlands, 2005, 195-249.
28. Frisch, M. J; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Montgomery, J. A., Jr.; Vreven, T.; Kudin, K. N.; Burant, J. C.; Millam, J. M.; Iyengar, S. S.; Tomasi, J.; Barone, V.; Mennucci, B.; Cossi, M.; Scalmani, G.; Rega, N.; Petersson, G. A.; Nakatsuji, H.; Hada, M.; Ehara, M.; Toyota, K.; Fukuda, R.; Hasegawa, J.; Ishida, M.; Nakajima, T.; Honda, Y.; Kitao, O.; Nakai, H.; Klene, M.; Li, X.; Knox, J. E.; Hratchian, H. P.; Cross, J. B.; Bakken, V.; Adamo, C.; Jaramillo, J.; Gomperts, R.; Stratmann, R. E.; Yazyev, O.; Austin, A. J.; Cammi, R.; Pomelli, C.; Ochterski, J. W.; Ayala, P. Y.; Morokuma, K.; Voth, G. A.; Salvador, P.; Dannenberg, J. J.; Zakrzewski, V. G.; Dapprich, S.; Daniels, A. D.; Strain, M. C.; Farkas, O.; Malick, D. K.; Rabuck, A. D.; Raghavachari, K.; Foresman, J. B.; Ortiz, J. V.; Cui, Q.; Baboul, A. G.; Clifford, S.; Cioslowski, J.; Stefanov, B. B.; Liu, G.; Liashenko, A.; Piskorz, P.; Komaromi, I.; Martin, R. L.; Fox, D. J.; Keith, T.; Al-Laham, M. A.; Peng, C. Y.; Nanayakkara, A.; Challacombe, M.; Gill, P. M. W.; Johnson, B.; Chen, W.; Wong, M. W.; Gonzalez, C.; Pople, J. A. Gaussian 03, revision C.02; Gaussian, Inc., Wallingford, CT, 2004.
29. Laidler, K. J. Chemical Kinetics, 2nd ed.; McGraw-Hill Book Company, New York, 1965; Chapter 6.