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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

Team

Principal Investigator

Hrvoje Petek
Institution
University of Pittsburgh

Team Members

Hongli Guo
Institution
California State University, Northridge

Hao Sun
Institution
University of Pennsylvania

Huijuan Sun
Institution
University of Science and Technology of China, Chinese Academy of Sciences

Xuefeng Cui
Institution
University of Pittsburgh

Qijing Zheng
Institution
University of Science and Technology of China, Chinese Academy of Sciences

Chungwei Lin
Institution
University of Pittsburgh

Wissam Al-Saidi
Institution
University of Pittsburgh

Jin Zhao
Institution
University of Science and Technology of China, Chinese Academy of Sciences

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).