Atomic scale modelling and materials

  1. 2016
  2. Published

    Classical molecular dynamics and quantum abs-initio studies on lithium-intercalation in interconnected hollow spherical nano-spheres of amorphous Silicon. / Bhowmik, Arghya; Malik, R.; Prakash, S.; Sarkar, Tanmay ; Bharadwaj, Mridula Dixit ; Aich, S.; Ghosh, Sourov.

    In: Journal of Alloys and Compounds, Vol. 665, 2016, p. 165–172.

    Publication: Research - peer-reviewJournal article – Annual report year: 2015

  3. Published

    Complex hydrides as room-temperature solid electrolytes for rechargeable batteries. / Jongh, P. E. de ; Blanchard, D.; Matsuo, M.; Udovic, T. J. ; Orimo, S.

    In: Applied Physics A, Vol. 122, No. 3, 251, 2016.

    Publication: Research - peer-reviewJournal article – Annual report year: 2016

  4. Published

    Comprehensive analysis of TEM methods for LiFePO4/FePO4 phase mapping: spectroscopic techniques (EFTEM, STEM-EELS) and STEM diffraction techniques (ACOM-TEM). / Mu, X.; Kobler, A.; Wang, D.; Chakravadhanula, V. S. K.; Schlabach, S.; Szabo, D. V.; Norby, Poul; Kuebel, C.

    In: Ultramicroscopy, Vol. 170, 2016, p. 10-18.

    Publication: Research - peer-reviewJournal article – Annual report year: 2016

  5. Published

    CO Oxidation on the Au15Cu15 Cluster and the Role of Vacancies in the MgO(100) Support. / Ma, Li ; Melander, Marko; Weckman, Timo ; Laasonen, Kari ; Akola, Jaakko .

    In: The Journal of Physical Chemistry Part C: Nanomaterials, Interfaces and Hard Matter, Vol. 120, 2016, p. 26747−26758.

    Publication: Research - peer-reviewJournal article – Annual report year: 2016

  6. Published

    Decacyclene Trianhydride at Functional Interfaces: An Ideal Electron Acceptor Material for Organic Electronics. / de Oteyza, Dimas G.; García Lastra, Juan Maria; Toma, Francesca M.; Borghetti, Patrizia; Floreano, Luca; Verdini, Alberto; Cossaro, Albano; Pho, Toan V.; Wudl, Fred; Ortega, J. Enrique.

    In: Journal of Physical Chemistry Letters, Vol. 7, No. 1, 2016, p. 90-95.

    Publication: Research - peer-reviewJournal article – Annual report year: 2016

  7. Published
  8. Published

    Descriptors and Thermodynamic Limitations of Electrocatalytic Carbon Dioxide Reduction on Rutile Oxide Surfaces. / Bhowmik, Arghya; Vegge, Tejs; Hansen, Heine Anton.

    In: ChemSusChem, Vol. 9, No. 22, 2016, p. 3230–3243.

    Publication: Research - peer-reviewJournal article – Annual report year: 2016

  9. Published

    Elastic Properties of the Solid Electrolyte Li7La3Zr2O12 (LLZO). / Yu, Seungho; Schmidt, Robert D. ; Garcia-Mendez, Regina; Herbert, Erik; J. Dudney, Nancy; B. Wolfenstine, Jeffrey; Sakamoto, Jeff; Siegel, Donald Jason.

    In: Chemistry of Materials, Vol. 28, 2016, p. 197-206.

    Publication: Research - peer-reviewJournal article – Annual report year: 2015

  10. Published

    Electronic Structure of Low-Dimensional Carbon Π-Systems. / García Lastra, Juan Maria; Boukahil, Idris; Qiao, Ruimin; Rubio, Angel; Himpsel, F. J.

    In: Journal of Physical Chemistry C, Vol. 120, No. 23, 2016, p. 12362-12368.

    Publication: Research - peer-reviewJournal article – Annual report year: 2016

  11. Published
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