The electronic structure and dynamics of photocatalytic and electronic interfaces
EMSL Project ID
13894b
Abstract
IThe electronic structure of unoccupied states and defects represents one of the most experimentally and theoretically demanding challenges in the science of interfacial phenomena. Here we propose a joint theoretical and experimental study on the photocatalytic and electronic properties of molecule-metal oxide and molecule-metal interfaces. Particularly, we will focus on the electronic structure and charge transfer dynamics of H2O covered TiO2 surfaces. We will explore the wet electron states in H2O overlayers on epitaxial anatase TiO2 films by time-resolved photoemission and DFT theory. The knowledge gained on water covered TiO2 will have broad relevance to charge transfer driven phenomena at environmental interfaces. In addition, we will study the superatom electronic properties of endohedrally doped fullerenes and related materials.
Project Details
Project type
Large-Scale EMSL Research
Start Date
2008-08-19
End Date
2011-09-30
Status
Closed
Released Data Link
Team
Principal Investigator
Team Members
Related Publications
H. Petek and J. Zhao, ?Ultrafast Interfacial Proton-coupled Electron Transfer,? Chem. Rev. 110, 7082 (2010).
Huang T, J Zhao, M Feng, H Petek, S Yang, and L Dunsch. 2010. "Superatom orbitals of Sc?N@C?? and their intermolecular hybridization on Cu(110)-(2x1)-O surface." Physical Review. B, Condensed Matter and Materials Physics 81(8):085434. doi:10.1103/PhysRevB.81.085434
Hu S, J Zhao, Y Jin, H Petek, and JG Hou. 2010. "Nearly Free Electron Superatom States of Carbon and Boron Nitride Nanotubes." Nano Letters 10(12):4830-4838. doi:10.1021/nl1023854
Jin Zhao, Jinlong Yang and Hrvoje Petek. 2009. "Theoretical study of the molecular and electronic structure of methanol on a TiO2(110) surface." Phys. Rev. B 80(23):235416. DOI:10.1103/PhysRevB.80.235416
Published 12/10/2009.
J. Zhao, J. Yang, H. Petek, "Theoretical study of the molecular and electronic structure of methanol on a TiO2(110) surface." Phys. Rev. B 80 (2009) 235416-11.
L. Chiodo, J.-M. García-Lastra, A. Iacomino, S. Ossicini, J. Zhao, H. Petek and A. Rubio, 2010. "Self-Energy and Excitonic Effects in the Electronic and Optical Properties of TiO2 Crystalline Phases." Phys. Rev. B 82:045207. published 7/22/2010. DOI: 10.1103/PhysRevB.82.045207
Petek H, and J Zhao. 2010. "Ultrafast Interfacial Proton-Coupled Electron Transfer." Chemical Reviews 110(12):7082-7099. doi:10.1021/cr1001595
Petek H, and J Zhao. 2010. "Ultrafast Interfacial Proton-Coupled Electron Transfer." Chemical Reviews 110(12):7082-7099. doi:10.1021/cr1001595).
S. Achilli, M.I. Trioni, E.V. Chulkov, P.M. Echenique, V. Sametoglu, N. Pontius, A. Winkelmann, A. Kubo, J. Zhao, H. Petek,"Spectral properties of Cs and Ba on Cu(111) at very low coverage: Two-photon photoemission spectroscopy and electronic structure theory." Phys. Rev. B 80(24): 245419-8
Sun H, DJ Mowbray, A Migani, J Zhao, H Petek, and A Rubio. 2015. "Comparing Quasiparticle H2O Level Alignment on Anatase and Rutile TiO2." ACS Catalysis 5:4242–4254. doi:10.1021/acscatal.5b00529
T. Minato, Y. Sainoo, Y. Kim, H.S. Kato, K.-i. Aika, M. Kawai, J. Zhao, H. Petek, T. Huang, W. He, B. Wang, Z. Wang, Y. Zhao, J. Yang, and J.G. Hou, "The electronic structure of oxygen atom vacancy and hydroxyl impurity defects on titanium dioxide (110) surface," The Journal of Chemical Physics 130, 124502 (2009).