Grisel Rivera Batista Science Undergraduate Laboratory Internship Program August 12, 2010.

 Sensitive to:  Neighboring elements in the periodic table.  Specific crystallographic phase.  Specific crystallographic site in a phase.

AXRD – Combination of Structural & Chemical Technique Structural (XRD) Chemical (XAS) X-rays diffract from specific planes Diffraction peak Near resonant absorption energy X-rays absorbed RESULT Diffracted peak intensity ↓ depending on elements present on diffracting planes Misra, S., Bettinger J., Anomalous X-ray Diffraction (AXRD), 5thAnnual SSRL School on Synchrotron X-ray Scattering Techniques in Materials and Environmental Sciences: Theory and Application. June 1st, 2010

f n = f 0 (Q) + f ′ (E) + i f ′ ′ (E) f 0 (Q) = normal (E independent) f ’(E) = anomalous (E dependent) f ’’(E) = absorption (E dependent) f n is the atomic scattering factor x n, y n, z n are the (fractional) positions of the n th atom Atomic scattering strength (f n ) varies near X-ray absorption edge Varying X-ray energy near absorption edge → total intensity changes f n depends on oxidation state of the element Anomalous X-ray Diffraction (AXRD) Misra, S., Bettinger J., Anomalous X-ray Diffraction (AXRD), 5thAnnual SSRL School on Synchrotron X-ray Scattering Techniques in Materials and Environmental Sciences: Theory and Application. June 1st, 2010

Zinc oxygen Tetrahedral sites in ZnO cell

Peak 100

Zn, Co Oxygen

 Inversion determines the amount of each cation found on either the tetrahedral or octahedral site, and has a big effect on the electrical properties. Mixed Spinel (0 < Normal spinel (  (Co) (Zn) (Co) B A B Inverse spinel (  (Co) (Co) (Zn) B A B Degree of Inversion Continuum

Peak 311

AXRD is an effective technique to characterize bulk and nanomaterials.

U.S. Department of Energy, Office of Science, through the Summer Undergraduate Laboratory Internship Program (SULI) Stanford Synchrotron Radiation Lightsource (SSRL) at SLAC National Accelerator Laboratory. My mentors Michael Toney, Sumohan Misra, and Joanna Bettinger for their guidance during the realization of my project. Stephen Rock and all the SULI staff at SLAC for give me the opportunity to work during this summer under their program.

 Bettinger, J., Misra, S. Anomalous X-ray Diffraction (AXRD), California  Bettinger, J. Probing the Effects of Dopants, Defects, and Crystal Structure in Spinel Transparent Conducting Oxides for Photovoltaic Applicationsi, California.  Granqvist, C. G., Transparent conductors as solar energy materials: A panoramic review, Department of Engineering Sciences, The Ångström Laboratory, Uppsala University, Uppsala, Sweeden  Introduction to X-ray Diffraction, Materials Research laboratory, University of California, Santa Barbara  Thomas, R.K., Simple Solids and their Surfaces [Online]. Available:  Pecharsky, V. K., Zavalij, P.Y., Fundamentals of Powder Diffraction and Structural Characterization of Materials, Page , Springer, New York  Cullity, B.D., Stock, S.R., Elements of X-Ray Diffraction, Page 31-47, Prentice Hall, New Jersey

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