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Instruments / Technical Area	Publication Details	Published	Actions
I07-Surface & interface diffraction	Structure of the SnO2(110)−(4×1) surface Lindsay R. Merte , Mathias S. Jorgensen , Katariina Pussi , Johan Gustafson , Mikhail Shipilin , Andreas Schaefer , Chu Zhang , Jonathan Rawle , Chris Nicklin , Geoff Thornton , Robert Lindsay , Bjørk Hammer , Edvin Lundgren Physical Review Letters 119 DOI: 10.1103/PhysRevLett.119.096102 Diamond Proposal Number(s): [13049] Show Abstract ▼ Abstract: Using surface x-ray diffraction (SXRD), quantitative low-energy electron diffraction (LEED), and density-functional theory (DFT) calculations, we have determined the structure of the (4×1) reconstruction formed by sputtering and annealing of the SnO2(110) surface. We find that the reconstruction consists of an ordered arrangement of Sn3O3 clusters bound atop the bulk-terminated SnO2(110) surface. The model was found by application of a DFT-based evolutionary algorithm with surface compositions based on SXRD, and shows excellent agreement with LEED and with previously published scanning tunneling microscopy measurements. The model proposed previously consisting of in-plane oxygen vacancies is thus shown to be incorrect, and our result suggests instead that Sn(II) species in interstitial positions are the more relevant features of reduced SnO2(110) surfaces.	Aug 2017
I07-Surface & interface diffraction	Fe oxides on Ag surfaces: structure and reactivity M. Shipilin , E. Lundgren , J. Gustafson , C. Zhang , F. Bertram , C. Nicklin , C. J. Heard , H. Grönbeck , F. Zhang , J. Choi , V. Mehar , V. J. F. Weaver , L. R. Merte Topics In Catalysis DOI: 10.1007/s11244-016-0714-8 Diamond Proposal Number(s): [10342] Open Access Show Abstract ▼ Abstract: One layer thick iron oxide films are attractive from both applied and fundamental science perspectives. The structural and chemical properties of these systems can be tuned by changing the substrate, making them promising materials for heterogeneous catalysis. In the present work, we investigate the structure of FeO(111) monolayer films grown on Ag(100) and Ag(111) substrates by means of microscopy and diffraction techniques and compare it with the structure of FeO(111) grown on other substrates reported in literature. We also study the NO adsorption properties of FeO(111)/Ag(100) and FeO(111)/Ag(111) systems utilizing different spectroscopic techniques. We discuss similarities and differences in the data obtained from adsorption experiments and compare it with previous results for FeO(111)/Pt(111).	Sep 2016

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