Powder and Thin-Film X-Ray Diffraction Facility

The powder/thin-film X-ray diffractometer (PXRD) provides compositional analysis. Researchers in several areas, including organic and inorganic chemistry, materials chemistry, and biochemistry used PXRD to determine phase identification, crystallinity, lattice parameters, expansion tensors, phase transition, crystal structure refinement of materials, and thin-film thickness, density and roughness.

The Lumigen Instrument Center (LIC) has two PXRDs; the D2 Phaser (Bruker) and the D8 Advance with a DAVINCI design (Bruker). The D2 Phaser is a simple benchtop system with Cu source and Lynxeye detector. The D8 Advance has two radiation sources (Mo and Cu) to provide X-rays of different penetrating power, parallel beam mode option, high sensitivity with good energy resolution from a second-generation energy discriminating detector (Lynxeye XE-T), and five interchangeable stages.

The various D8 Advance platforms include air sensitive, temperature-dependent (-193 and 900°C), and in situ electrode/battery X-ray diffraction and reflectivity experiments. First and higher orders material characterization of nanoparticles, thin films, structural materials, and next-generation energy storage and batteries can be defined by PXDR and is critical in designing and developing new materials.

D2 Phaser
D2 Phaser
D8 Advance
D8 Advance


A. Paul Schaap Chemistry Building, Room 50.1

Statement of acknowledgment

The D8 Advance was procured with a National Science Foundation Major Research Instrumentation (NSF: MRI) grant. Please acknowledge this grant in publications, presentations, thesis, and dissertations. A suggested statement can read:
"This work made use of the PXDR facility that is partially funded by National Science Foundation #1427926."


Dr. Cassie Ward, X-ray Crystallography Lab manager
313-577-2587, Chemistry 61

Dr. Sameera Perera, X-ray Crystallography Lab postdoc
Chemistry 135

Dr. Judy Westrick, director of Lumigen Instrument Center
313-577-2579, Chemistry 225



  • Amarasinghe, D. K., Perera, S. S., Rabuffetti, F. A. "Rotational Disorder in Scheelite-Type NaRE(MO4)2 (RE = Rare-Earth, Y; M= Mo, W)" Crystal Growth & Design2020, ASAP
  • Blakeney, K. J., Martin, P. D., Winter, C. H. "A Volatile Dialane Complex from Ring Expansion of an N-Heterocyclic Carbene and Its Use in the Thermal Atomic Layer Deposition of Aluminum Metal Films" Organometallics2020, ASAP
  • Davis, J. L., Silva, K. L., Brock, S. L. "Exploiting Kinetics for Assembly of Multicomponent Nanoparticle Networks with Programmable Control of Heterogeneity" Chemical Communications2020, 56, 458


  • Silva, K. L., Silmi, L., Brock, S. L. "Effect of Metal Ion Solubility on the Oxidative Assembly of Metal Sulfide Quantum Dots" The Journal of Chemical Physics2019, 151, 234715
  • Samira, S., Gu, X. K., Nikolla, E. "Design Strategies for Efficient Nonstoichiometric Mixed Metal Oxide Electrocatalysts: Correlating Measurable Oxide Properties to Electrocatalytic Properties" ACS Catalysis2019, 10, 516
  • Amarasinghe, D. K., Rabuffetti, F. A. "Bandshift Luminescence Thermometry Using Mn4+:Na4Mg(WO4)3 Phosphors" Chemistry of Materials2019, 31, 10197
  • Samira, S., Deshpande, S., Roberts, C. A., Nacy, A. M., Kubal, J., Matesic, K., Oesterling, O., Greeley, J. P., Nikolla, E. "Non-Precious Metal Catalysts for Tuning Discharge Product Distribution at Solid-Solid Interfaces of Aprotic Li-O2 Batteries" Chemistry of Materials2019, 31, 7300
  • Carneiro, J., Nikolla, E. "Nanoengineering of Solid Oxide Electrochemical Cell Technologies: An Outlook" Nano Research2019, 12, 2081
  • Dissanayake, K. T., Amarasinghe, D. K., Suescun, L., Rabuffetti, F. A. "Accessing Mixed-Halide Upconverters Using Heterohaloacetate Precursors" Chemistry of Materials2019, 31, 6262
  • Perera, S. S., Rabuffetti, F. A. "Dysprosium-Activated Scheelite-Type Oxides as Thermosensitive Phosphors" Journal of Materials Chemistry C2019, 7, 7601
  • Hettiarachchi, M. A., Abdelhamid, E., Nadgorny, B., Brock, S. L. "Anisotropic Manganese Antimonide Nanoparticle Formation by Solution-Solid-Solid Growth Mechanism: Consequence of Sodium Borohydride Addition Towards Reduced Surface Oxidation and Enhanced Magnetic Moment" Nanoscale2019, 11, 6886
  • Szlag, R. S., Suescun, L., Dhanapala, B. D., Rabuffetti, F. A. "Rubidium-Alkaline-Earth Trifluoroacetate Hybrids as Self-Fluorinating Single-Source Precursors to Mixed-Metal Fluorides" Inorganic Chemistry2019, 58, 3041
  • Wang, B., Zhang, J., Herrera, L. P., Medlin, J. W., Nikolla, E. "110th Anniversary: Fabrication of Inverted Pd@TiO2 Nanostructures for Selective Catalysis" Industrial & Engineering Chemistry Research2019, 58, 4032
  • Sanni, A. M., Lavan, S. N., Avramenko, A., Rabuffetti, F. A., Suescun, L., Rury, A. S. "Room-Temperature Broadband Light Emission from Hybrid Lead Iodide Perovskite-Like Quantum Wells: Terahertz Spectroscopic Investigation of Metastable Defects" Journal of Physical Chemistry Letters2019, 10, 1653
  • Sanni, A. M., Shuhag, S., Rury, A. S. "Probing Fabry-Perot Interference in Self-Assembled Excitonic Microcrystals with Subgap Light Emission" The Journal of Physical Chemistry C2019, 123, 23103
  • Samira, S., Camayang, J. C., Nacy, A. M., Diaz, M., Meira, S. M., Nikolla, E. "Electrochemical Oxygen Reduction on Layered Mixed Metal Oxides: Effect of B-Site Substitution" Journal of Electroanalytical Chemistry2019, 833, 480
  • Perera, S. S., Dissanayake, T., Rabuffetti, F. A. "Alkaline-Earth Fluorohalide Nanocrystals for Upconversion Thermometry" Journal of Luminescence2019, 207, 416


  • Mutinda, S., Li, D., Kay, J. Brock S. L. "Synthesis and Characterization of Co2xRhxP Nanoparticles and Their Catalytic Activity Towards the Oxygen Evolution Reaction" Journal of Materials Chemistry A2018, 6, 12142
  • Dissanayake, K. T. and Rabuffetti, F. A. "Multicolor Emission in Chemically and Structurally Tunable Er:Yb:SrFX (X - Cl, Br) Upconverting Nanocrystals" Chemistry of Materials2018, 30, 2453
  • Blakeney, K. J., Winter, C. H. "Atomic Layer Deposition of Aluminum Metal Films Using a Thermally Stable Aluminum Hydride Reducing Agent" Chemistry of Materials2018, 30, 1844
  • Gu, X. K., Carneiro, J. S. A., Samira, S., Das, A., Ariyasingha, N. M., Nikolla, E. "Efficient Oxygen Electrocatalysis by Nanostructured Mixed-Metal Oxides", Journal of the American Chemical Society2018, 140, 8128
  • Kerrigan, M. M., Klesko, J. P., Blakeney, K. J., Winter, C. H. "Low Temperature, Selective Atomic Layer Deposition of Nickel Metal Films" ACS Applied Materials and Interfaces2018, 10, 14200
  • Blakeney, K. J., Martin, P. D., Winter, C. H. "Aluminum Dihydride Complexes and Their Unexpected Application in Atomic Layer Deposition of Titanium Carbonitride Films" Dalton Transactions2018, 48, 10897
  • Blakeney, K. J., Ward, C. L., Winter, C. H. "Atomic Layer Deposition of Tungsten-Rich Carbide Films Using WCl6 and AlH2 (tBuNCH2CH2NMe2)" ECS Transactions2018, 86, 41
  • Hewavitharana, I. K., Brock S. L. "Application of Aqueous-Based Covalent Crosslinking Strategies to the Formation of Metal Chalcogenide Gels and Aerogels" Zeitschrift für Physikalische Chemie2018, 232, 1691


  • Kerrigan, M. M., Klesko, J. P., Rupich, S. M., Dezelah, C. L., Kanjolia, R. K, Chabal, Y. J., Winter, C. H. "Substrate Selectivity in the Low Temperature Atomic Layer Deposition of Cobalt Metal Films from Bis(1, 4-di-tert-butyl-1, 3-diazadienyl)cobalt and Formic Acid" The Journal of Chemical Physics2017, 146, 052813
  • Kerrigan, M. M., Klesko, J. P., Winter, C. H. "Low Temperature, Selective Atomic Layer Deposition of Cobalt Metal Films Using Bis(1,4-di-tert-butyl-1,3-diazadienyl)cobalt and Alkylamine Precursors", Chemistry of Materials2017, 29, 7458
  • Liyanage, D. R., Li, D., Cheek, Q. B., Baydoun, H., Brock, S. L. "Synthesis and Oxygen Evolution Reaction (OER) Catalytic Performance of Ni2xRuxP Nanocrystals: Enhancing Activity by Dilution of the Noble Metal" Journal of Materials Chemistry A2017, 5, 17609
  • Hewavitharana, I. K., Brock, S. L. "When Ligand Exchange Leads to Ion Exchange: Nanocrystal Facets Dictate the Outcome" ACS Nano2017, 11, 11217
  • Blakeney, K. J., Winter, C. H. "Thermal Atomic Layer Deposition of Tungsten Carbide Films from WCl6 and AlMe3Journal of Vacuum Science and Technology A2017, 35, 01A104
  • Li, D., Baydoun, H., Kulikowski, B., Brock, S. L. "Boosting the Catalytic Performance of Iron Phosphide Nanorods for the Oxygen Evolution Reaction by Incorporation of Manganese" Chemistry of Materials2017, 29, 3048
  • Pimmachcharige, R., Zhang, Y., Regmi, R., Lawes, G., Brock, S. L. "Solution-Phase Growth Mechanism of Phosphorus-Doped Control on the Nanoscale" Journal of Materials Chemistry C2017, 5, 3352
  • Perera, S. S.*, Amarasinghe, D. K.*, Dissanayake, K. T., and Rabuffetti, F.A. (*equal contribution) "Average and Local Crystal Structure of β-Er:Yb:NaYF4 Upconverting Nanocrystals Probed by X-ray Total Scattering" Chemistry of Materials2017, 29, 6287
  • Dhanapala, D. B., Mannino, N. A., Mendoza, L. M., Dissanayke, K. T., Martin, P. D., Seuscun, L., Rabuffetti, F. A. "Synthesis of Bimetallic Trifluoroacetates Through A Crystallochemical Investigation of Their Monometallic Counterparts: The Case of (A, A')(CF3COO)2 â€¢ nH2O (A, A' = Mg, Ca, Sr, Ba, Mn)" Dalton Transactions2017, 46, 1420
  • Davis, J. L., Chalifoux, A. M., Brock, S. L. "Role of Crystal Structure and Chalcogenide Redox Properties on the Oxidative Assembly of Cadmium Chalcogenide Nanocrystals" Langmuir2017, 33, 9434
  • Dhanapala, D., Munasinghe, H. N., Suescun, L., Rabuffetti, F. A. "Bimetallic Trifluoroacetates as Single-Source Precursors for Alkali-Manganese Fluoroperovskites" Inorganic Chemistry2017, 56, 13311
  • Carneiro, J. S. A., Brocca, R. A., Lucena, M. L. R. S., Nikolla, E. "Optimizing Cathode Materials for Intermediate-Temperature Solid Oxide Fuel Cells (SOFCs): Oxygen Reduction on Nanostructured Lanthanum Nickelate Oxides" Applied Catalysis B: Environmental2017, 200, 106


  • Klesko, J. P., Kerrigan, M. M., Winter, C. H. "Low Temperature Thermal Atomic Layer Deposition of Cobalt Metal Films" Chemistry of Materials2016, 28, 700
  • Li, D., Baydoun, H., Verani, C. N., Brock, S. "Efficient Water Oxidation Using CoMnP Nanoparticles" Journal of the American Chemical Society2016, 138, 4006
  • Li, D., Arachchige, M. P., Kulikowski, B., Lawes, G., Seda, T., Brock, S. L. "Control of Composition and Size in Discrete CoxFe2xP Nanoparticles: Consequences for Magnetic Properties" Chemistry of Materials2016, 28, 3920
  • Dissanayake, K. T., Rabuffetti, F. A. "Infrared-to-Visible Upconversion Luminescence in Er:Yb:SrFBr Nanocrystals" Journal of Materials Chemistry C2016, 4, 2447
  • Hettiarachchi, M. A., Abdelhamid, E., Nadgorny, B., Brock, S. L. "Synthesis of Colloidal MnSb Nanoparticles: Consequences of Size and Surface Characteristics on Magnetic Properties" Journal of Materials Chemistry C2016, 4, 6790
  • Dissanayake, K. T., Mendoza, L. M., Martin, P. D., Suescun, L., Rabuffetti, F. A. "Open-Framework Structures of Anhydrous Sr(CF3COO)2 and Ba(CF3COO)2Inorganic Chemistry2016, 55, 170