August 22, 2000
Journal Article

Structure Determination of the Two-Domain (1x4) Anatase TiO2(001) Surface

Greg Herman
Michael Sievers
Yufei Gao

Abstract

The reconstructed anatase TiO2(001) surface has been investigated by low energy electron diffraction (LEED) and angle-resolved mass-spectroscopy of recoiled ions (AR-MSRI). Prior experimental and theoretical investigations have only observed or considered a (1x1) unreconstructed termination for this surface with no detailed structural analysis. Our LEED results indicate a previously unobserved two-domain (1x4) reconstruction after sputtering and annealing the (1x1) surface. Simulations of the A-MSRI experimantal data indicate a best fit for a surface that is microfaceted, revealing both (103) and (103) surface planes.

Revised: August 22, 2000 | Published: April 10, 2000

Citation

Herman G.S., M.R. Sievers, and Y. Gao. 2000. "Structure Determination of the Two-Domain (1x4) Anatase TiO2(001) Surface." Physical Review Letters 84, no. (15):3354-4457. PNNL-SA-32191.