Synthèse, caractérisation et évaluation électrocatalytique de catalyseurs
plurimétalliques pour la cathode de la pile à combustible, by Styven Demilta LANKIANG. Delivered on August 30th, 2016 by Université of Poitiers, France. Download
Publications and conferences
- L. Xie, P. Brault, C. Coutanceau, A. Caillard, J. Berndt, E. Neyts, Efficient amorphous platinum catalyst cluster growth on porous carbon: A combined Molecular Dynamics and experimental study, Appl. Cat. B, 62 (2015) 21 – 26 Download
- V. Tripkovic, H. A. Hansen, J. Rossmeisl and T. Vegge, First principles investigation of the activity of thin film Pt, Pd and Au surface alloys for oxygen reduction, Phys. Chem. Chem. Phys., 17 (2015) 11647-11657 Download
- S. Lysgaard, J.S. G. Myrdal, H. A. Hansen and T.Vegge, A DFT-based genetic algorithm search for AuCu nanoalloy electrocatalysts for CO2 reduction, Phys. Chem. Chem. Phys., 17 (2015), 28270-28276 Download
- S. Lankiang, M. Chiwata, S. Baranton, H. Uchida, C. Coutanceau, Oxygen reduction reaction at binary and ternary nanocatalysts based on Pt, Pd, Au. Electrochim. Acta 182 (2015) 131-142. Download
- Q. Fu, L. C. Colmenares Rausseo, U. Martinez, P. I. Dahl, J. M. Garcia Lastra, P. E. Vullum, I.-H. Svenum, and T. Vegge, Effect of Sb Segregation on Conductance and Catalytic Activity at Pt/Sb-doped SnO2 Interface: a Synergetic Computational and Experimental Study, ACS Applied Interfaces and Materials, 7 (2015) 27782-27795 Download
- P. Brault and E. Neyts, Molecular dynamics simulations of supported metal nanocatalyst formation by plasma sputtering, Catalysis Today 256 (2015) 3-12 Download
- P. Brault (invited review article), Review of low pressure plasma processing of proton exchange membrane fuel cell electrocatalysts, Plasma Process. Polym. 13 (2016) 10-18 Download
- C. Jennings, S. Lysgaard, H. A. Hansen, T. Vegge, Decoupling Strain and Ligand Effects in Ternary Nanoparticles for Improved ORR Electrocatalysis, Phys. Chem. Chem. Phys., 18, 24737-24745 (2016). Download
- P. Brault, C. Coutanceau, P. C. Jennings, T. Vegge, J. Berndt, A. Caillard, S. Baranton, S. Lankiang, Molecular dynamics simulations of PEMFC electrode ternary PtxPdyAuz nanocatalyst growth, Int. J. Hydrogen Energy. 41 (2016) 22589-22597 Download
- P.I. Dahl, L.C. Colmenares, A.O. Barnett, S. Lomas, P.E. Vullum, J.H. Kvello, J.R. Tolchard, S.M. Hanetho, T. Mokkelbost, Flame spray pyrolysis of tin oxide-based Pt catalysts for PEM fuel cell applications, MRS Advances, DOI: https://doi.org/10.1557/adv.2017.104, Published online: 30 January 2017, pp. 1-6
- S. Lankiang, S. Baranton, C. Coutanceau, Electrocatalytic behaviour towards oxygen reduction reaction of carbon supported PtxMyAuz (M = Ni, Cu, Co) binary and ternary catalysts, Electrochim. Acta 242 (2017) 287-299. Download
- Q. Fu, N. B. Halck, H. A. Hansen, J. M. Garcia-Lastra, T. Vegge, A Computational Study of Nb-doped-SnO2/Pt Interfaces: Dopant Segregation, Electronic Transport and Catalytic Properties, Chem. Mater. 29 (2017) 1641-1649. Download
- C. Jennings, S. Lysgaard, Jens S. Hummelshøj, T. Vegge and T. Bligaard, Machine Learning Accelerated Genetic Algorithms for Computational Materials Search (2017, submitted)
Conference communication list
- C Coutanceau, Development of ternary catalysts for ORR: the European SMARTCat project, C. Coutanceau, S. Lankiang, M. Chiwata, S. baranton, 7th International Fuel Cell Workshop (IFCW2015), Kofu, Japan, 2015.
- Tejs Vegge, Computational methods for accelerated DFT-based design of next-generation energy materials , DICP Open Seminar, Dalian Institute of Chemical Physics (DICP), May 10th, 2017, China.
- Tejs Vegge, Computational Design of Nanoalloy Catalysts from DFT, Genetic Algorithms and Machine Learning, American Chemical Society 253th Annual Meeting, San Francisco, April 4-7th, 2017, Denmark.
- Tejs Vegge, Computational methods for accelerated DFT-based design of energy materials“, TUM Energy Colloquium, Technical University of Münich, November 8th, 2016, Germany.
- Tejs Vegge, Computational design of nanoalloys using DFT calculations, genetic algorithms and machine learning , 8th Multiscale Materials Modeling Conference (MMM 2016), October 10-14th, 2016, Dijon, France.
- Tejs Vegge, Genetic Algorithms and DFT for Accelerated Design of Nanoalloys, 230th ECS Meeting/Prime 2016, October 2-7th, 2016, Honolulu, USA.
- S. Baranton, S. Lankiang , D. Dru, J. Bigarré, P. Buvat, C. Coutanceau, Catalyst Design for Oxygen Reduction Reaction: Platinum Monometallic, Binary and Ternary Nanocatalyst, 232nd ECS Meeting, National Harbour (MD), USA, 2017.
- P. I. Dahl et al, Flame Spray Pyrolysis of Electrode Materials for Energy Applications », Material Research Society. Fall Meeting & Exhibit », Boston, USA, Nov. 30 – Dec. 5, 2014
- T. Vegge, Atomic-scale modeling in fuel cell, electrolyser and battery research“,The JESS Summer School, September 22-26th, 2014, Crete, Greece
- T. Vegge, Electrochemical Energy Storage and Electrofuels, The 2014 CAMD Summer School on Electronic Structure Theory and Materials Design, August 17-3rd, 2014, Technical University of Denmark, Denmark.
- T. Vegge, « Designing Nanoparticle Electrocatalysts for Sustainable Production of Synthetic Fuels, QuantumHagen 2014 – Modeling of Electronic Devices and Materials at the Nanoscale, July 1-3rd, 2014, University of Copenhagen, Denmark.
- S. Lankiang, S. Baranton, C. Coutanceau,Development of ternary Pt-based catalysts for ORR, S EERA Fuel Cells & Hydrogen Technologies JP, SP2: Catalyst and Electrodes, May 20-21, 2015, DTU/Risø Campus Roskilde, Danemark.
- S. Lankiang, S. Baranton, C. Coutanceau, Binary and ternary catalysts based on Pt, Au and Ni for the oxygen reduction reaction228th ECS Meeting, Phoenix, USA, 2015.
- S. Baranton, M. Chiwata, S. Lankiang, C. Coutanceau,Pt, Pd, Au Binary and Ternary Catalysts for the Oxygen Reduction Reaction 228th ECS Meeting, Phoenix, USA, 2015.
- T. Vegge, “Materials predictors and genetic algorithms for rational design of electrocatalytic nanoparticles” ICCP-9 conference (9th International Conference on Computational Physics) in Singapore, 7 – 11 Jan 2015
- P. Brault et al, » Overview of SMARTCAT – Systematic, Material-oriented Approach using Rational design to develop break-Through Catalyst s for commercial automotive PEMFC », EFCD2015, La Grande Motte, France, Sept. 2015
- A. Oyarce, L.C. Colmenares, and M. Thomassen, Challenges and Opportunities of Doped Tin Oxides in Fuel Cell Electrodes EFCD2015, La Grande Motte, France, Sept. 2015
- S. Lankiang, J. Berndt, S. Baranton, A. Caillard, P. Brault, C. Coutanceau, Oxygen Reduction Reaction at Binary and Ternary Nanocatalysts Based on Pt, Ni and Au, PRiME 2016/230th ECS Meeting, Honolulu, USA, 2016.
- Dahl, Paul Inge, et al., FLAME SPRAY PYROLYSIS OF NANOSTRUCTURED MATERIALS, Supported Pt cathode catalysts for PEM fuel cells, International workshop Nano2021 FOXCET; 24/11/2016
- Dahl, Paul Inge, et al., Pt catalyst supported on tin oxides by flame spray pyrolysis for PEM fuel cells, MRS Fall Meeting 2016, Boston 29/11/2016
- Dahl, Paul Inge, et al., Supported catalyst particles for PEM fuel cells by one-step flame synthesis, EERA AMPEA Workshop, Oslo, 7/2/2017
- Dahl, Paul Inge et al, One-step flame synthesis of cathode catalyst nanoparticles supported on stable oxide material – example of Pt on ATO, European Fuel Cell Car Workshop, Orleans, 1/3/2017
- C. Coutanceau, S. Lankiang, M. Chiwata, S. Baranton, Binary and ternary catalysts based on platinum, nickel, cobalt for oxygen reduction reaction., 7th International Fuel Cell Workshop (IFCW2015), Kofu, Japan, 2015.
- C. Colmenares, P.I. Dahl, A. Oyarce, Qiang Fu, T. Vegge and P. Brault, Antimony Tin Oxide: From computational research to MEA manufacturing – challenges in the value chain » EFCD2015, La Grande Motte, France, Sept. 2015
- C. Coutanceau, Development of ternary catalysts for the oxygen reduction reaction, S. D. Lankiang, S. BarantonISE 2016, 67th annual Meeting ISE 2016, The Hague, The Netherlands.
- P. Brault et al, Molecular Dynamics Simulations of Plasma Sputtered Ultra-low Platinum Nanocatalyst Growth » EFCD2015, La Grande Motte, France, Sept. 2015
- C. Caillard, P. Brault, How to design catalytic nanocluster by magnetron-sputter gas-aggregation? European Fuel Cell Car Workshop, Orleans, 1/3/2017
- P. Brault et al, Understanding ternary PEMFC nanocatalyst atomic arrangement during growth and annealing: a Molecular Dynamics approach. European Fuel Cell Car Workshop, Orleans, 1/3/2017