06.12.2021 08:00 MRS Fall Meeting, online, with many presentations from our lab, register here. 

30.11.2021 09:00 Swiss Battery Association iBAT 2nd Annual Meeting, Biel, Switzerland, coorganized by our lab, register here.

24.11.2021 09:30 International Workshop on Sodium-Ion Batteries, online, register here.

23.11.2021 09:30 Battery Innovation Days, online, register here.

26.10.2021 13:00 EU Green Battery Conference, online, coorganized by our lab, register here

24.10.2021 08:00 International Battery Materials Association Annual Meeting, online, register here.

18.10.2021 13:30 Dr. Alexis Grimaud, CNRS, Collège de France, Aqueous lithium-ion batteries, from fundamental understanding to practicality, where are we?, FC-C20.

10.10.2021 08:00 ECS Fall Meeting, online, with many presentations from our lab, register here

07.10.2021 08:00 Battery2030+, Annual Meeting, online, register here

29.09.2021 08:00 Swiss Battery Association iBAT, online workshop on the role of Swiss industry in battery cell manufacturing, organized by our lab, register here.  

17.09.2021 16:00 Dr. Ryo Asakura, Empa, PhD thesis seminar followed by apéro, Empa Academy.

13.09.2021 08:00 EUROMAT2021, online, with many presentations from our lab, register here.

23.08.2021 08:00 ACS Fall Meeting Symposium "Resilience in Electrochemical Energy Conversion and Storage", virtual edition, coorganized by our lab, register here

06.07.2021 13:30 Prof. Vasiliki Tileli, EPFL, Liquid-phase transmission electron microscopy for probing electrochemical-induced processes, VE102.

07.05.2021 08:00 Global Renewable Energy Researchers Meet, online, with Switzerland represented by our lab, follow here.

19.04.2021 08:00 MRS Spring Meeting, online, with many presentations from our lab, follow here.

15.02.2021 08:00 Swiss Battery Days 2020/21, coorganized by our lab, register here.

13.01.2021 08:00 International Sodium Battery Symposium, online, with many presentations from our lab, follow here.

01.11.2020 08:00 Berlin Science Week/Falling Walls, online, with our lab representing Switzerland, register here.

30.10.2020 08:00 MRS Spring/Fall Meeting, online, with many presentations from our lab, follow here.

05.10.2020 08:00 ECS PRiME, online, with many presentations from our lab, register here.

27.08.2020 16:00 Dr. David Reber, Empa, PhD thesis seminar followed by apéro, Empa Academy.

20.07.2020 16:00 Dr. Francesco Pagani, Empa, PhD thesis seminar followed by apéro, Empa Academy.

26.06.2020 16:00 Dr. Marie-Claude Bay, Empa, PhD thesis seminar followed by apéro, Empa Academy.

25.05.2020 13:00 Battery 2030+ web conference: European Perspectives On Batteries of the Future,  register here.

07.04.2020 14:00 Jing Hou, EPFL, Transmission electron microscopy for battery research, virtual.

28.02.2020 14:00 Prof. Puru Jena, Virignia Commonwealth University, In search of metastable forms of carbon, VE102.

17.12.2019 11:00 Francesco Pagani, David Reber, Empa, Highlights MRS Fall Meeting, Boston, USA, LA 373.

03.12.2019 11:00 Dr. Wenbo Ju, Empa, Highlights nanoGe, Berlin, Germany, LA 373.

12.11.2019 11:00 Dr. Arkadiy Simonov, ETHZ, Hidden diversity of vacancy orderings in prussian blue analogues, LA 373.

05.11.2019 11:00 L. Duchêne, Empa, Highlights ECS Fall Meeting, Atlanta, USA, LA 373.

29.10.2019 11:00 F. Wagner, ETHZ & Empa, Bachelor thesis presentation, LA 373.

03.10.2019 15:30 Dr. Léo Duchêne, Empa, PhD thesis seminar followed by apéro, VE102.

01.10.2019 11:00 Ryo Asakura, Arash Seyedhosein, Empa, Highlights EMRS Fall Meeting, Warsaw, Poland, LA 373.

17.09.2019 11:00 David Reber, Empa, Highlights EECE Conference, LA 373.

29.08.2019 11:00 Dr. Dominique Guyomard, CNRS IMN & Université de Nantes, New electrode and electrolyte materials for the next generation of energy storage devices, VE102.

28.08.2019 13:30 Battery 2030+ information event, satellite event to 2nd Swiss & Surrounding Battery Days, organized by our lab, Empa Academy.

26.08.2019 13:30 2nd Swiss & Surrounding Battery Days, organized by our lab, Empa Academy, register here.

09.07.2019 11:00 Ryo Asakura, Empa, Highlights SSI-21, Cheju, South Korea, LA 373.

16.05.2019 11:00 Ruben-Simon Kühnel, Empa, Highlights IBA Annual Meeting, San Diego, USA, LA 373.

04.04.2019 13:30 Prof. Dr. Jürgen Janek, Justus Liebig University Giessen / Karlsruhe Institute of Technology, Challenges on the route to solid-state batteries, VE102.

22.01.2019 11:00 Dr. Marina Gonzáles Vayá, EKZ, EKZ's experience with the operation of utility-scale battery energy storage, LA 373.


11.12.2018 11:00 Marie-Claude Bay, Francesco Pagani, Empa, Highlights MRS Fall Meeting, Boston, USA, LA 373.

13.11.2018 11:00 Prof. Jeff Sakamoto, University of Michigan, Will solid-state batteries compete with liquid-based Li-ion technology?, VE 102.

16.10.2018 11:00 Dr. Arndt Remhof, Empa, Highlights 2nd International Symposium on Mg Batteries, Ulm, Germany, LA 373.

18.09.2018 11:00 Dr. Ruben-Simon Kühnel, Empa, Highlights 69th ISE Meeting, Bologna, Italy, LA 373.

11.09.2018 11:00 Maximilian Becker, Justus Liebig-Universität Giessen, Interface or interphase? Electrolytes in hybrid cells under investigation, LA 373.

28.08.2018 11:00 Dr. Ruben-Simon Kühnel, Empa, Towards stable 2 V class sodium-ion batteries based on aqueous electrolytes, LA 373.

14.08.2018 11:00 Isabel Streicher, Albert-Ludwigs-Universität Freiburg, Floating zone growth of bulk Si1-xGex crystals, LA 373.

10.07.2018 11:00 Daniel Leonard, Oregon State University, Maximizing water’s potential for energy storage, LA 373.

03.07.2018 11:00 Prof. Werner Sitte, Montanuniversität Leoben, Determination of the electronic conductivity of Na-ß”-Al2O3, LA 373.

05.06.2018 11:00 David Reber, Empa, Highlights 233rd ECS Spring Meeting, Seattle, USA, LA 373.

28.05.2018 08:30 1st International Symposium on Solid-State Batteries, organized by our lab, Empa Akademie, register here

23.05.2018 08:00 1st Swiss and Surrounding Battery Days, co-organized by our lab, Baden, register here.

22.05.2018 11:00 Prof. Stefano Passerini, Helmholtz Institute Ulm / Karlsruhe Institute of Technology, Non-graphitic anodes for lithium-ion batteries, VE 102.

08.05.2018 11:00 David Reber, Empa, A high-voltage aqueous electrolyte for sodium-ion batteries, LA 373.

01.05.2018 11:00 Léo Duchêne, Empa, Highlights MRS Fall Meeting, Boston, USA, LA 373.

27.03.2018 11:00 Dr. Daniel Chartouni, ABB, Battery storage offerings from an industrial solution provider, VE 102.

20.03.2018 11:00 Léo Duchêne, Empa, A 3 V stable closo-borate electrolyte for all-solid-state sodium-ion batteries, LA 373.

13.02.2018 11:00 Dr. Yinglu Tang, Empa, Impact of Ni content on the thermoelectric properties of Half-Heusler thermoelectrics, LA 373. 

06.02.2018 11:00 Yeojeong Yun, Empa & Ulsan National Institute of Science and Technology, IAESTE traineeship presentation, LA 373. 

30.01.2018 11:00 Dr. Meike Heinz & Prof. Ulrich Vogt, Empa, Highlights 42nd International Conference on Advanced Ceramics and Composites, Daytona Beach, USA, LA 373. 

23.01.2018 11:00 Serkan Sevinc, Empa & Gebze Technical University, internship presentation

16.01.2018 11:00 Prof. Ulrich Vogt, Empa, Recent developments of cellular ceramics for energy and environmental applications, LA 373. 

09.01.2018 11:00 Dr. Meike Heinz, Empa, Recent advances in β'' alumina electrolytes for sodium batteries, LA 373. 


03.10.2017 11:00 Dr. Meike Heinz, Empa, Workshop Highlights Workshop on High Temperature Batteries for Stationary Energy Storage, Trondheim, Norway LA 373. 

26.09.2017 11:00 Sarallah Hamtaei, Albert-Ludwidgs University Freiburg & Fraunhofer Institute for Solar Energy Systems, From AHSS steels to solar cells, LA 373.

19.09.2017 11:00 Dr. Josefa Vidal Laveda, Empa, Journal Club, Toward high energy density cathode materials for sodium-ion batteries, LA 373.

12.09.2017 11:00 Philipp Kehne, TU Darmstadt, All-solid state batteries for in-situ and in-operando XPS and XRD investigations, LA 373.

05.09.2017 11:00 Dr. Fadi Abdeljawad, Sandia National Laboratories, Mesoscale modeling of materials microstructures: from sintering kinetics to grain boundary segregation, LA 373.

25.07.2017 11:00 Dr. Wenbo Ju, Empa, Highlights 6th EFCF, Lucerne, Switzterland. Marie-Claude Bay, Empa, Highlights ECerS, Budapest, Hungary, LA 373.

18.07.2017 11:00 David Reber, Ruben-Simon Kühnel, Empa, Highlights ISSECap, Jena, Germany and IDTechEx Berlin, Germany, LA 373.

11.07.2017 11:00 Matteo Brighi, University of Geneva, Complex hydrides for near-room temperature all-solid-state Na-ion secondary batteries, LA 373. 

27.06.2017 11:00 Dr. rer. nat. Anna Lehner, Fraunhofer Institut für Werkstoffmechanik und und Karlsruher Institut für Technologie und Dr. Daniel Mutter, Fraunhofer Institut für Werkstoffmechanik und Freiburger Materialforschungszentrum der Albert-Ludwigs Universität Freiburg, Ab-initio modelling of solid-state electrolytes, LA 373.

13.06.2017 11:00 Prof. Dr. rer. nat. Michael Stelter, Fraunhofer Institut für Keramische Technologien und Systeme, Low cost sodium batteries based on ceramic materials – an old idea revisited, VE 102.

30.05.2017 11:00 Dr. Yinglu Tang, Empa, journal club. Dr. Arndt Remhof, Empa, Highlights EMRS Spring Meeting, Strasbourg, France, LA 373.

23.05.2017 11:00 Dr. Ruben-Simon Kühnel, Empa, journal club. Dr. Wenbo Ju, Empa, journal club, LA 373.

16.05.2017 11:00 Dr. Elsa Roedern, Empa, Highlighty 231st ECS Meeting, New Orleans, USA and 21st International Conference on Solid State Ionics, Padua,  Italy, LA 373.

02.05.2017 11:00 Dr. Evelyn Stilp, Empa, Highlights Li-ion cell production seminar, Itzehoe, Germany, LA 373.

11.04.2017 11:00 Francesco Pagani, Empa, Electrochemical Stability of LGPS and LLZO solid electrolytes, LA 373.

28.03.2017 11:00 Dr. Dipan Kundu, ETHZ, Secondary batteries enabled by reversible Zn ion intercalation, LA 373.

14.03.2017 11:00 Dr. Christian Leinenbach, Empa, Phase diagrams – road maps in materials design, LA 373.

14.02.2017 11:00 Léo Duchêne, Empa, Monolithically integrated photo-rechargeable power sources. David Reber, Empa, Hydrate-melt electrolytes, LA 373.

07.02.2017 11:00 Dr. Eduardo Cuervo Reyes, Empa, Explanation of Non-Arrhenius Conductivity in ionic conductors, LA 373.

31.01.2017 11:00 Lorenzo Pusterla, Empa, Kinetics of carbothermal reduction of magnesium oxide, LA 373.

24.01.2017 11:00 Dr. Peter Rickhaus, Empa, Status thermoelectric modules. Lorenzo Pusterla, Empa, Status Electra IV, LA 373. 

17.01.2017 11:00 Leo Duchene, Empa, Impedance measurements on borohydrides. Marie-Claude Bay, Empa, Impedance measurements on beta alumina. Michael Rawlence, Empa, Impedance measurements on thin films, LA 373.

10.01.2017 11:00 Dr. Cancan Huang, Harvard University, Molecular electronics: from single molecule to devices, LA 373.


20.12.2016 11:00 Lorenzo Pusterla, Empa, Kinetics of carbothermal reduction of magnesium oxide, LA 373.

08.11.2016 11:00 Christoph Guntlin, Empa, Synthesis of nanocrystalline FeF3 from molecular precursor and its Li- and Na-ion storage properties, LA 373.

25.10.2016 11:00 Dr. Rupali Deshmukh, ETH Zürich, Colloidal nanoparticles/nanowires: solution-phase synthesis, assembly, processing, and applications, LA 373.

20.09.2016 11:00 Marie-Claude Bay, Empa, Literature review on beta" alumina electrolyte, LA 373.

13.09.2016 11:00 Dr. Stefan Dilger, Empa, Highlights, 67th ISE Meeting, Lausanne, Switzerland and NanoGe Solar Fuels 16, Berlin Germany, LA 373.

30.08.2016 11:00 Dr. Stefan Dilger, Empa, Improvements in charge carrier conductivity in scalable particle based photoanodes by hybrid composites using MWCNTs and GO, LA 373.

16.08.2016 11:00 Dr. Elsa Roedern, Empa, Highlights 15th International Symposium on Metal-Hydrogen Systems, Interlaken, Switerland, LA 373.

09.08.2016 11:00 Dr. Stefan Dilger, Empa, Increasing conductivity with carbon nanotubes and graphene oxide in composite particle-based photoanodes for solar water splitting, LA 373.

02.08.2016 11:00 Dr. Elsa Roedern, Empa, Metal amide borohydride complexes as solid-state ionic conductors for lithium and magnesium batteries, LA 373.

26.08.2016 11:00 Francesco Pagani, Empa, Highlights SCCER Summer School Energy Storage in Batteries, Möschberg, Switzerland, LA 373.

19.07.2016 11:00 Dr. Evelyn Stilp, Francesco Pagani, Eduardo Cuervo Reyes, Empa, Recent Progress in battery research, LA 373.

12.07.2016 11:00 Michael Rawlence, Empa, In-situ study of phase transition in garnet solid-sttate electrolytes, LA 373.

05.07.2016 11:00 Prof. Uli Vogt, Empa, Highlights 19th World Conference on High Temperature Ceramic Matrix Composites, Toronto, Canada & Dr. Ruben-Simon Kühnel, Highlights,18th International Meeting on Lithium Ion Batteries, Chicago, USA, LA 373.

21.06.2016 11:00 Dr. Yinglu Tang, Empa, Highlights, The 35th International Conference on Thermoelectrics, Wuhan, China, LA 373.

07.06.2016 11:00 Prof. Andrea Vezzini, BFH & CSEM, Speichersysteme für die Energiewirtschaft und Mobilität, LA 373.

06.06.2016 13:30 Dr. Ruben-Simon Kühnel, Empa, Lithium amide-borohydrides as electrolyte for all-solid-state lithium-ion batteries, VE 102.

24.05.2016 11:00 Dr. Yinglu Tang, Empa, Phase diagram study of Ce-Co-Fe-Sb quaternary system and solubility region of CeyCo4-xFexSb12 skutterudites at 973K?, LA 373.

17.05.2016 11:00 Dr. Meike Schlupp, Empa, Highlights Kronach Impedance Days, Bad Staffelstein, Germany, LA 373.

10.05.2016 11:00 Dr. Zewu Yan, ETH Zürich, Crystal growth techniques - materials discovery and engineering: synthesis, crystal growth and characterization, LA 373.

02.05.2016 11:00 Dr. Begoña Abad Mayor, Instituto de Microelectrónica de Madrid, Thermal transport measurements of thermoelectric materials by the photoacoustic technique: from bulk to nano, LA 373.

26.04.2016 11:00 Dr. Antonia Neels, Activities of Empa's X-ray Center, LA 373.

07.04.2016 09:00 Prof. Jeff Snyder, Northwestern University, Why interstitial Ni makes Half-Heusler ZrNiSn a good n-type but poor p-type thermoelectric, LA 373.

29.03.2016 11:00 Dr. Daniele Perego, Singapore-MIT Alliance for Research and Technology (SMART), Applied electrochemistry: from nanomaterials to energy storage, LA 373.

15.03.2016 13:00 Prof. Nancy M. Haegel, National Renewable Energy Laboratory (NREL), Multi-probe integration of near-field and electron optics: transport imaging for the nanoworld, MO 235

09.03.2016 13:30 Dr. Francesca Toma, Lawrence Berkeley National Laboratory, Joint Center for Artificial Photosynthesis, Towards viable artificial photosynthetic devices, LA 373.

04.03.2016 14:00 Prof. Peru Jena, Virginia Commonwealth University, From clusters to crystals: a bottom-up design of energy materials, VE 102.

01.03.2016 11:00 Isadora Reis, Material research applied to energy storage, LA 373.

22.02.2016 10:00 Rachel Woods Robinson, Lawrence Berkeley National Laboratory, Copper-alloyed zinc sulfide: an earth abundant, room temperature processed p-type transparent conductor for photovoltaic applications, LA 373.

19.02.2016 14:00 Dr. Wenbo Ju, TU München, Size-dependent electrochemical properties of supported Pd nanoparticles, LA 373.

19.02.2016 11:00 Marie-Claude Bay, CSEM, Refractive index biosensor with angular read-out, LA 373.

16.02.2016 11:00 Dr. Bruce Patterson, PSI, Electrolysis of CO2 and H2 from sea Water, LA 373.

15.02.2016 13:30 Dr. Maximilian Besenhard, TU Graz, Mathematical modeling in chemical & pharmaceutical engineering, LA 373.

26.01.2016 11:00 Dr. Matthias Heer, Upscaling of ceramic foam parts, LA 373.

25.01.2016 13:30 Dr. Peter Loch, Nanocrystallisation in oxyfluoride glasses, LA 373.

19.01.2016 11:00 Dr. Rosa Roberts, PSI, X-ray fluorescence imaging, diffraction and total scattering techniques: application to batteries, LA 373.

11.01.2016 14:30 Paolo Testa, Colloidal quantum dot near infrared photodetectors, LA 373.


08.12.2015 11:00 Dr. Peter Rickhaus, Uni Basel, Electron optics in ballistic graphene, LA 373.

02.12.2015 11:00 Dr. Arndt Remhof, Highlights International Symposium on Clusters and Nanomaterials, Richmond, USA.

24.11.2015 11:00 Alex Bonk, CeO2 reduction for thermochemical fuels, LA 373.

17.11.2015 11:00 Anna Veron, Empa, Synthesis of highly ordered 2D-organic-inorganic perovskites, LA 373.

10.11.2015 11:00 Anina Steinlin, Empa, CO2 Emissions of electricity – what is important for the new energy concept for the Empa campus, LA 373.

03.11.2015 11:00 Yujing Liu, Empa, TG/MS of redox reactions, LA 373.

27.10.2015 11:00 Marco Pagani, ETHZ & Empa, Modelling of heat demand in Switzerland, LA 373.

20.10.2015 11:00 Dr. Yuri Surace, Empa, PhD thesis seminar followed by apéro, LA 373.

13.10.2015 11:00 Felix Schuler, QFD and FMEA - a short introduction, LA 373.

06.10.2015 10:00 Dr. Hai Nguyen, University of Bern, Copper-related materials: from fundamental studies to applications in interconnect technology and renewable energy, LA 373.

05.10.2015 10:00 Léo Duchêne, LBNL, Microstructure engineering of lead halide perovskites for photovoltaic and solar fuel production, LA 373.

29.09.2015 10:00 Dr. Elsa Roedern, University of Aarhus, Complex hydrides for hydrogen storage and other applications, LA 373.

15.09.2015 10:00 Adrià Garcia Gil, University of Zurich, Towards understanding layered double hydroxyde as oxygen evolving electrocatalysts, LA 373.

08.09.2015 11:00 Yannick Gaudy, Empa & EPFL, Modelling of LaTiON PEC devices, LA 373.

01.09.2015 11:00 Dr. Diana Davila Pineda, ETHZ, Thermoelectric microgenerators based on bottom-up silicon nanowire arrays: device integration, LA 373.

28.07.2015 11:00 Jonas Bosshard, Empa & ETHZ, Fabrication of LaTiON photoelectrodes, LA 373.

21.07.2015 11:00 Alexander Bonk, Empa, Chemical expansion and phase stability of doped ceria monitored by high temperature XRD, LA 373.

14.07.2015 10:00 Dr. Yinglu Tang, Caltech & Northwestern University, Phase diagram study in skutterudites: a new approach for thermoelectric performance optimization, LA 373.

07.07.2015 11:00 Dr. Shunsuke Kato, EPFL, CO2 reduction via metal hydrides, LA 373.

30.06.2015 11:00 Dr. Dariusz Burnat, Empa and Prof. U. Vogt, Empa & University of Freiburg, Membrane development for alkaline electrolysis, LA 373.

23.06.2015 11:00 Dr. Stéphanie Looser, University of Surrey, The role and dynamics of CSR in Swiss SMEs, LA 373.

16.06.2015 11:00 Dominic Blosser, Empa & ETHZ, Spark-plasma-sintering of Ohmic contacts for Half-Heusler thermoelectrics, LA 373.

09.06.2015 11:00 Prof. Parasuraman Selvam, National Center for Catalysis Research, Chennai, Nano- and nanoporous mateirals in catalysis, LA 373.

02.06.2015 11:00 Dr. Stephan Dilger, Empa, Highlights 1st International Solar Fuels Conference, Uppsala, Sweden, LA 373.

26.05.2015 11:00 Prof. Fokko Mulder, TU Delft, Li-ion batteries, VE102.

05.05.2015 11:00 Prof. Ulrich Vogt, Empa, Platelet reinforced polymer matrix composites, LA 373.

21.04.2015 11:00 Dr. Corsin Battaglia, Highlights MRS Spring Meeting, San Francisco, USA, LA 373.

31.03.2015 11:00 Kristaps Rubenis, Empa and University of Latvia, Sb-doping of SnO2 thermoelectrics, LA 373.

24.03.2015 11:00 Prof. Ulrich Vogt, Empa, Highlights 90. DKG Annual Conference & Symposium on High-Performance Ceramics, Bayreuth, Germany LA 373.

17.03.2015 11:00 Dr. Björn Niessen, EPFL, Perovskite/crystalline silicon tandem solar cells: current status, challenges, and efficiency potential, Empa Akademie.

10.03.2015 11:00 Alex Bonk, Empa, Ceria-based ceramic foams for solar thermochemical redox reactions, LA 373.

03.03.2015 11:00 Ludmilla Steier, EPFL, Impedance spectroscopy, LA 373.

24.02.2015 11:00 Moritz Wehrle Empa, Nickel-based thin films grown by aerosol assisted chemical vapor deposition, LA 373.

17.02.2015 11:00 Annika Maier, Empa,  Synthesis and characterization of doped ceria produced by wet chemical methods, LA 373.

03.02.2015 11:00 Janis Locs, Riga Technical University, Calcium phosphate materials for regenerative medicine, LA 373.

28.01.2015 11:00 Philipp Thiel, Empa, Pervoskite-type calcium manganites: influence of substitution on reduction, phase stability, and transport properties, LA 373.

21.01.2015 11:00 Dr. Meike Schlupp, Empa, Metal oxide and noble metal thin films for energy applications deposited by a cost-effective CVD technique, LA 373.

14.01.2015 11:00 Dr. Dariuz Burnat, Empa, Fundamentals of alkaline electrolysis, LA 373.


17.12.2014 11:00 Alex Bonk, Empa, Solar thermochemical fuel production utilizing ceria based redox cycles, LA 373

10.12.2014 11:00 Dr. Arndt Remhof, Empa, Spectroscopy at large scale facilities: quasielastic neutron scattering (QENS) and X-ray raman scattering (XRS), LA 373

3.12.2014 11:00 Dr. Yigang Yan, Empa, NMR shedding light on the reaction mechanism of metal borohydrides

29.10.2014 11:00 Dr. Mario Simoes, Empa, H2V3O8 cathodes for high-energy density Li-ion batteries, LA 373

10.10.2014 11:00 Dr. Jason Cooper, LBNL, Electronic structure and photocarrier dynamics in bismuth vandadate photoanodes , VE 102

8.10.2014 11:00 Dr. Ulrich Aschauer, ETHZ, Density functional theory calculations of defects and reactivity in transition metal oxides, LA 373