Theoretical Electrochemistry at SFU


Our research explores the realms of theoretical chemical physics and electrochemistry. It combines a well-devised hierarchy of methods and approaches in theory and in molecular modeling to unravel the “multiscale” relations between structure, physicochemical properties and performance of materials for electrochemical energy conversion. We collaborate closely with experimental groups to systematically evaluate theoretical findings, develop novel diagnostic approaches and explore new routes in design, fabrication and characterization of advanced functional materials for energy applications.

News:

Prof. Michael Eikerling has been selected as the winner of the Alexander Kuznetsov Prize for Theoretical Electrochemistry of the International Society of Electrochemistry, in recognition of his groundbreaking work in theory and modelling of polymer electrolyte fuel cells with an emphasis on water management, transport, and electrocatalysis.

The contribution "Non-monotonic Surface Charging Behavior of Platinum: A Paradigm Change" , by Jun Huang, Ali Malek, Jianbo Zhang and Michael Eikerling has been selected to be featured in ACS Editors' Choice in The Journal of Physical Chemistry C.

The contribution "How theory and simulation can drive fuel cell electrocatalysis" , by M. J. Eslamibidgoli, J. Huang, T. Kadyk, A. Malek, M. Eikerling, covers essential phenomena from atomic scale to nanoscale in fuel cell electrocatalysis, and presents perspectives for first-principles electrochemical modeling.

The contribution entitled "Atomistic Mechanism of Pt Extraction at Oxidized Surfaces: Insights from DFT", by Mohammad Javad Eslamibidgoli and Michael H. Eikerling, utilizes density functional theory calculations to explore the local mechanism of platinum atom extraction and oxygen substitution at an oxygen-covered Pt surface. [Link]

Dr. Michael Eikerling and Dr. Andrei Kulikovsky published their book titled "Polymer Electrolyte Fuel Cells: Physical Principles of Materials and Operation". (download flyer)

  • Jul. 2017
  • Prof. Eikerling presented at 647. W.E. Heraeus Seminar Next Generation Polymer Electrolyte Fuel Cells, What determines the catalyst’s activity in PEM Fuel Cells? Insights from theory and modeling, July 2-5, 2017, Bad Honnef, Germany.
  • Jun. 2017
  • Prof. Eikerling presented at seminar, Theory and Modeling of Nanoscale Phenomena in Fuel Cell Electrocatalysis, June 22, 2017, Ulm University, Germany.
  • May 2017
  • Prof. Eikerling presented a seminar, Theory and Modeling of Materials for Electrochemical Energy Systems, May 4, 2017, DLR, Stuttgart, Germany.
  • Prof. Eikerling presented at 192th Academic Salon Lecture, State Key Laboratory for Automotive Safety and Energy, Theory and Modeling of Electrochemical Energy Materials, May 18, 2017, Tsinghua University, Beijing.
  • Prof Michael Eikelring: Tutorial on Low Pt-loading Catalyst Layers in Polymer Electrolyte Fuel Cells, Theory and Modeling of PEFC Catalyst Layers (keynote talk), May 19, 2017, Tsinghua University, Beijing.
  • Prof. Michael Eikelring: Workshop on Low Pt-loading Catalyst Layers in Polymer Electrolyte Fuel Cells, Modeling of Catalyst Layer Degradation: From theory to Diagnostics (keynote talk), May 20, 2017, Tsinghua University, Beijing.
  • Dr. Eslamibidgoli presented his work entitled "First-Principles Studies of Nickel-based Electrocatalysts for Electrochemical Clean Energy Applications " at 100th Canadian Chemistry Conference and Exhibition, on May 29, 2017, Toronto, ON, Canada
  • Dr. Ali Malek gave a poster presentation at 100th Canadian Chemistry Conference and Exhibition, A DFT Study on Structural and Electronic Properties of Oxide Formation at Pt(111), May 31, 2017, Toronto, ON, Canada
  • Apr 2017
  • Prof. Michael Eikelring presented at CARISMA Conference, Platinum’s Activity and Stability: The Role of Surface Oxygen/Oxide (keynote talk), April 9-12, 2017, Newcastle, UK.
  • Prof. Eikerling gave a seminar presentation onTheory and Modeling in Electrochemistry: Bridging Scales, April 27, 2017, Fakultät für Chemie, Universität Duisburg-Essen, Germany.
  • Mar. 2017
  • Prof. Eikerling gave a seminar presentation on Modeling and Simulation of Catalyst Layers in PEFCs: Cradle to Grave, March 21, 2017, InES, Technische Universität Braunschweig, Germany.
  • Dr. Eslamibidgoli gave a poster presentation entitled "First-Principles Studies of Nickel-based Electrocatalysts for Electrochemical Clean Energy Applications " at DPG spring meeting 2017, Dresden, Germany
  • Congrats to Amir Tahmasbi, PhD candidate for winning Graduate Fellowship.
  • Feb. 2017
  • Prof. Eikerling presented at FDFC 2017: How Theory and Simulation can Drive Fuel Cell Electrocatalysis (keynote talk), Jan. 31 – Feb. 2, 2017, Stuttgart, Germany.
  • Prof. Eikerling gave a seminar presentation on Theory and Modeling of Materials for Electrochemical Energy Systems, Feb. 9, 2017, Weierstrass Institute, Berlin, Germany.
  • Prof. Eikerling gave a seminar presentation on Modeling of Materials for Electrochemical Energy Technologies, Feb. 16, 2017, Zentrum für BrennstoffzellenTechnik, Duisburg, Germany.
  • Jan. 2017
  • Prof. Michael Eikerling: Seminar at MEET (Münster Electrochemical Energy Technology), Theory and Modeling of Materials for Electrochemical Energy Systems, Jan. 10, 2017, Universität Münster, Germany.
  • Prof. Michael Eikerling talk atPhysics Colloquium: The Physics of Electrochemical Energy Conversion, Jan. 18, 2017, Heinrich-Heine Universität Düsseldorf, Germany.
  • Oct. 2016
  • Amir Tahmasbi, PhD candidate, presented his work entitled, Population Balance Model of Growth of Solid Electrode Interphase in Lithium Ion Batteries, on Oct. 2, 2016, at PRiME 2016, Honolulu, Hawaii
  • Congratulations to Heather Baroody (PhD student) on winning the Fall 2016 Departmental Oral Presentation Competition.
  • The contribution entitled "How theory and simulation can drive fuel cell electrocatalysis" by M. J. Eslamibidgoli, J. Huang, A. Malek, T. Kadyk and M. Eikerling, was selected for the front cover of Nano Energy, Vol. 29. 
  • Colin Fehr (undergraduate student) received an award of the best undergraduate research presentation in the Applied and Engineering Physics of the Canadian Undergraduate Physics Conference, hosted by Dalhousie university in Halifax, NS. Congrats Colin!
  • Aug. 2016
  • Tasleem Muzaffar (PhD student) presented in the Gordon Research conference  (Boston).
  • Tasleem Muzaffar (PhD student) elected as Co-Chair for Gordon Research Seminars 2018. Congratulations!
  • Congratulations to Mahdi Ghelichi on his sucessful Ph.D. defence! [thesis]
  • Jul. 2016
  • Congratulations to Mohammad Javad Eslamibidgoli on his sucessful Ph.D. defence! [thesis]
  • Tasleem Muzaffar (PhD student) received BCAA Environ. Studies in Transportation Award. Congratulations!
  • Tasleem Muzaffar (PhD student) presented in the ECS conference (229th meeting, San-Diego)
  • Dr. Ali Malek participated at 23rd WIEN2k workshop 2016 (L/APW+lo calculations with the WIEN2k code), June 3 - 7 at McMaster University, Hamilton, Canada.
  • Jan. 2016
  • Congratulations to M. Ghelichi and M. J. Eslamibidgoli (Ph.D. students) on being awarded the President’s PhD Scholarship!
  • Nov. 2015
  • Dr. A. Niroumand presented his research titled "Closed Form Solution for PEM Fuel Cell Polarization Parameters" in the Fuel Cell Seminar in Los Angeles, CA.
  • Oct. 2015
  • Congratulations to Mohammad J. Eslamibidgoli (Ph.D. student) for being awarded in the 2015 Chemistry Poster Competition! His presentation title was: "Molecular mechanism of Pt extraction at oxidized surfaces: Insights from DFT".
  • Congratulations to Mahdi Ghelichi (Ph.D. student) on his honorary mention in the 2015 Chemistry Poster Competition!
  • M. J. Eslamibidgoli (Ph.D. student) presented his research in the 2015 Fall Meeting of the Canada Section of the ECS at Simon Fraser University. His presentation title was "Molecular mechanism of Pt extraction at oxidized surfaces: Insights from DFT".
  • Colin Fehr (undergrad student) gave a presentation at Canadian Undergraduate Physics Conference in Peterborough, Ontario. The title of his presentation was: "Nitrogen Doped Graphene as a Catalyst Support in PEM Fuel Cells".
  • Dr. Ali Malek presented his research "DFT Study of Surface Charging Effects on Oxygen Covered Pt(111)" at the 66th Annual Meeting of the International Society of Electrochemistry (ISE) in Taipei, Taiwan. [Abstract]
  • Sept. 2015
  • Yule Wang has joined our research group as a Ph.D. student from Sep. 1, 2015. Welcome to the lab!
  • Aug. 2015
  • Prof. Michael Eikerling made a seminar presentation at Heinrich-Heine, Universität Düsseldorf, Germany on Aug. 7, 2015. The title of his presentation was: “Theory of Polymer Electrolyte Membranes: From Cradle to Grave”.
  • Prof. Michael Eikerling gave a keynote talk at the International Conference on Electrochemical Energy Science and Technology (EEST 2015) held in Vancouver, BC, Canada. The title of his presentation was “Catalyst Layers for PEM Fuel Cells: From Physical Principles to Advanced Design”.
  • Dr. Ali Malek presented his research at EEST 2015. The title of his presentation was "Surface oxide formation on Pt(111):  a DFT study of structural and electronic properties".
  • Jul. 2015
  • Dr. Amir Niroumand gave a presentation at the European Fuel Cell Forum (EFCF) in Lucerne, Switzerland. The title of his presentation was: "In situ Diagnostic Tools for Characterization of Pinholes in PEM Fuel Cell Stacks."
  • Prof. Michael Eikerling made a seminar presentation in Research Center Jülich, IEK-3 in Germany titled “Polymer Electrolyte Fuel Cells: From Physical Principles to Diagnostics and Design”. July 15, 2015.
  • Jun. 2015
  • Prof. Michael Eikerling gave a keynote presentation at the 98th Canadian Chemistry Conference and Exhibition (CSC 2015) in Ottawa, ON, on June 15th. The title of his presentation was: "Theory and Modeling of Platinum Surface Reactions."
  • May 2015
  • Mohammad J. Eslamibidgoli (Ph.D. student) presented his reserach "Modelling of Radical Reactions at Platinum Deposits in Polymer Electrolyte Membranes" at the 227th Meeting of the Electrochemical Society (ECS) in Chicago, IL. [Abstract]
  • Prof. Michael Eikerling gave a keynote talk at the 227th ECS Meeting in Chicago, IL. The title of his presentation was: "Modeling Oxide Formation and Reduction on Platinum." [Abstract]
  • Dr. Thomas Kadyk will give an invited presentation at the International Conference on Electrochemical Energy Science and Technology (EEST2015) which is being held from Aug. 16 to 22, 2015, in Vancouver, Canada. The title of his talk is "Population Balance Modeling of Degradation in Porous Electrodes".
  • Mar. 2015
  • Congratulations to Motahareh Safiollah on the successful defense of her M.Sc. dissertation!
  • Prof. Michael Eikerling gave a plenary talk at ModVal 12; “Materials Degradation in PEM Fuel Cells: Interplay of Microscopic Kinetics and Statistical” March 26 and 27, 2015, Freiburg, Germany. 
  • Feb. 2015
  • Congratulations to Mahdi Ghelichi (Ph.D. student) on his honorary mention in the departmental oral competition!
  • Dr. Amir Niroumand attended FDFC in Toulouse, France and made a presentation titled: "In-situ hydrogen transfer leak characterization for PEM fuel cell stacks". 

 

 

Dr. Michael Eikerling
Professor
Department of Chemistry 
Simon Fraser University