Dopamine adsorption on TiO2 anatase surfaces

Journal of Physical Chemistry C

Volumn 118, Issue 35, 2014, Pages 20688-20693

  Urdaneta, I ^a,b,c   Keller, A ^c   Atabek, O ^c   Palma, J L ^d   Finkelstein Shapiro, D ^d   Tarakeshwar, P ^d   Mujica, V ^d   Calatayud, M ^a,b,e  

^a LABORATOIRE DE CHIMIE THÉORIQUE   (France)

^b CNRS   (France)

^c INSTITUT DES SCIENCES MOLÉCULAIRES D ORSAY   (France)

^d ARIZONA STATE UNIVERSITY   (United States)

^e INSTITUT UNIVERSITAIRE DE FRANCE   (France)

Author keywords

[No Author keywords available]

Indexed keywords

ADSORPTION; AMINES; CHARGE TRANSFER; ELECTRONIC STRUCTURE; ENERGY GAP; EXCITED STATES; MOLECULES; NEUROPHYSIOLOGY; OXIDE MINERALS; RAMAN SCATTERING; SURFACE SCATTERING;

AB INITIO MODELING; ADSORPTION ENERGIES; ANATASE SURFACES; ELECTRONIC EXCITATION; NANOPARTICLE INTERFACES; SELECTIVE ADSORPTION; SPECTROSCOPIC RESPONSE; SURFACE ENHANCED RAMAN SCATTERING (SERS);

TITANIUM DIOXIDE;

EID: 84914129276     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp506156e     Document Type: Article

References (37)

1. Chen, X.; Mao, S. S. Titanium Dioxide Nanomaterials: Synthesis, Properties, Modifications, and Applications Chem. Rev. 2007, 107, 2891-2959
2. 2 Surfaces: Principles, Mechanisms, and Selected Results Chem. Rev. 1995, 95, 735-758
3. 2 J. Phys. Chem. B 2010, 114, 14642-14645
4. 2 Hybrid Composites) J. Am. Chem. Soc. 2009, 131, 6040-6041
5. 2 Nanoparticles by Surface-Enhanced Raman Spectroscopy J. Raman Spectrosc. 2009, 40, 2004-2008
6. 2 Films with UV-Vis, Raman, and FTIR Spectroscopies J. Phys. Chem. B 2006, 110, 8723-8730
7. Quagliano, L. G. Observation of Molecules Adsorbed on III-V Semiconductor Quantum Dots by Surface-Enhanced Raman Scattering J. Am. Chem. Soc. 2004, 126, 7393-7398
8. Hayashi, S.; Koh, R.; Ichiyama, Y.; Yamamoto, K. Evidence for Surface-Enhanced Raman Scattering on Nonmetallic Surfaces: Copper Phthalocyanine Molecules on Gap Small Particles Phys. Rev. Lett. 1988, 60, 1085-1088
9. Yamada, H.; Yamamoto, Y.; Tani, N. Surface-Enhanced Raman Scattering (SERS) of Adsorbed Molecules on Smooth Surfaces of Metals and a Metal Oxide Chem. Phys. Lett. 1982, 86, 397-400
10. 2 Nanoparticles from Resonance Raman Spectroscopy J. Chem. Phys. 2002, 117, 842-850
11. Wang, Y.; Hang, K.; Anderson, N. A.; Lian, T. Comparison of Electron Transfer Dynamics in Molecule-to-Nanoparticle and Intramolecular Charge Transfer Complexes J. Phys. Chem. B 2003, 107, 9434-9440
12. 2(101): A Photoemission and NEXAFS Spectroscopy Study Langmuir 2010, 26, 14548-14555
13. 2 (110) Surfaces J. Phys. Chem. C 2012, 116, 23515-23525
14. 2 Nanoparticles from Real Time TD-DFT Simulations Phys. Chem. Chem. Phys. 2011, 13, 1506-1514
15. 2 Anatase (101) Surface: A Periodic Density Functional Theory Study Chem. Phys. 2007, 331, 275-282
16. 2 Nanoparticles Chem. Phys. Lett. 2009, 475, 272-276
17. 2 Particles in Aqueous Suspension by Second-Harmonic Generation J. Phys. Chem. B 1999, 103, 2480-2486
18. 2: Catechol on Anatase (101) J. Am. Chem. Soc. 2011, 133, 7816-7823
19. 2(101) Surface Langmuir 2011, 27, 8600-8604
20. Tarakeshwar, P.; Finkelstein-Shapiro, D.; Hurst, S. J.; Rajh, T.; Mujica, V. Surface-Enhanced Raman Scattering on Semiconducting Oxide Nanoparticles: Oxide Nature, Size, Solvent, and pH Effects J. Phys. Chem. C 2011, 115, 8994-9004
21. 2 Nanoparticles Int. J. Quantum Chem. 2011, 111, 1659-1670
22. 2-Dopamine Complex Chem. Phys. Lett. 2005, 406, 306-311
23. Tarakeshwar, P.; Palma, J. L.; Finkelstein-Shapiro, D.; Keller, A.; Urdaneta, I.; Calatayud, M.; Atabek, O.; Mujica, V. SERS as a Probe of Charge-Transfer Pathways in Hybrid Dye/Molecule-Metal Oxide Complexes J. Phys. Chem. C 2014, 118, 3774-3782
24. 4 Hybrid Using Stretched Molecular Geometries J. Phys. Chem. A 2014, 118, 1196-1202
25. Kresse, G.; Furthmüller, J. Efficient Iterative Schemes for Ab Initio Total-Energy Calculations Using a Plane-Wave Basis Set Phys. Rev. B 1996, 54, 11169-11186
26. Kresse, G.; Hafner, J. Ab Initio Molecular Dynamics for Open-Shell Transition Metals Phys. Rev. B 1993, 48, 13115-13118
27. Perdew, J. P.; Burke, K.; Ernzerhof, M. Generalized Gradient Approximation Made Simple Phys. Rev. Lett. 1996, 77, 3865-3868
28. Blochl, P. E. Projector Augmented-Wave Method Phys. Rev. B 1994, 50, 17953-17979
29. Kresse, G.; Joubert, D. From Ultrasoft Pseudopotentials to the Projector Augmented-Wave Method Phys. Rev. B 1999, 59, 1758-1775
30. Redfern, P. C.; Zapol, P.; Curtiss, L. A.; Rajh, T.; Thurnauer, M. C. Computational Studies of Catechol and Water Interactions with Titanium Oxide Nanoparticles J. Phys. Chem. B 2003, 107, 11419-11427
31. 2 Surf. Sci. 2001, 490, 116-124
32. 2 Nanoparticle Phase and Shape Transitions Controlled by Surface Chemistry Nano Lett. 2005, 5, 1261-1266
33. Calatayud, M.; Minot, C. Effect of Relaxation on Structure and Reactivity of Anatase (100) and (001) Surfaces Surf. Sci. 2004, 552, 169-179
34. Henkelman, G.; Arnaldsson, A.; Jonsson, H. A Fast and Robust Algorithm for Bader Decomposition of Charge Density Comput. Mater. Sci. 2006, 36, 354-360
35. Calatayud, M.; Markovits, A.; Menetrey, M.; Mguig, B.; Minot, C. Adsorption on Perfect and Reduced Surfaces of Metal Oxides Catal. Today 2003, 85, 125-143
36. 2 Surface: A DFT Model Study J. Phys. Chem. Lett. 2013, 4, 1901-1906
37. Momma, K.; Izumi, F. Vesta: A Three-Dimensional Visualization System for Electronic and Structural Analysis J. Appl. Crystallogr. 2008, 41, 653-658