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DTSTART;TZID=Europe/London:20221214T090000
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SUMMARY:TYC 6th Energy Materials workshop: Modelling Energy Interfaces
DESCRIPTION:TYC 6th Energy Materials workshop: Modelling Energy Interfaces Share on X\n\n\n\n\nSponsored in part by the EPSRC-JSPS Core-to-Core Collaborations in Advanced Functional Materials: EP/R034540/1 Defect Functionalized Sustainable Energy Materials: From Design to Devices Application  \n\n\n\nand  \n\n\n\nEPSRC grant: Discovering twisted bilayer materials with strong electron correlations: EP/S025324/1 \n\n\n\nFormat: in-person \n\n\n\nVenue: Wellcome Collection\, 183 Euston Road\, London\, NW1 2BE \n\n\n\nRegistration: Early-bird registration deadline: 15 October 2022\, registration fee: 150 pounds; regular registration deadline: 30 November 2022\, registration fee: 200 pounds.  Registration covers lunches on Dec. 14/15/16\, dinner & drinks at the poster session as well as refreshments during breaks; register via the ‘Register’ button below: \n\n\n\n\n            Register            \n\n\n\n\n\n\n\n\nAbstract submission: deadline for poster abstract submissions is 15 October; submit your abstracts via this link: \n\n\n\n\nSubmit your abstract\n\n\n\n\n\n\n\n\nDeveloping an efficient and sustainable energy technology remains one of the key global challenges\, but this requires advances in the understanding of energy materials. Materials modelling can provide atomic-scale insights\, but applying these techniques to realistic in-operando interfaces is challenging.  \n\n\n\nIn this workshop\, we bring together leading theorists and experimentalists for three days of invited and contributed talks and poster sessions\, to discuss the current state-of-the-art in modelling interfaces and outline future directions guided by experimental and technological needs.  \n\n\n\nThe workshop will take a place at the Wellcome Collection located in the heart of London\, a beautiful venue which also hosts a famous museum (https://wellcomecollection.org/) exploring the history of medical artefacts.   \n\n\n\nDirections to the Wellcome Collection \n\n\n\nPreliminary programme: \n\n\n\nWednesday 14 December \n\n\n\n9.00 am: welcomeSession 1: Tutorials9.30 am: Kirk Bevan (McGill University) – The Physics of Electrochemical Interfaces10.30 am: coffee & snacks11.00 am: Michiel Sprik (University of Cambridge) – The relation and distinction between redox potentials\, electrode potentials and Fermi levels \n\n\n\n12.00 pm: lunch \n\n\n\nSession 2: structure & stability of interfaces1.30 pm: Karsten Reuter (Fritz-Haber Institute) – Out of the crystalline comfort zone: atomistic modelling of operando energy conversion systems2.10 pm: Chiara Gattinoni (London South Bank University) – Strain-driven dissociation of water (incipient) ferroelectrics2.35 pm: coffee & snacks3.00 pm: Bilge Yildiz (MIT) – Atomic and electronic structure and hydrogen interactions at the Al2O3/Al interface quantified by ab initio grand canonical Monte Carlo3.40 pm: Stefan Bromley (University of Barcelona/ICREA) – An unconstrained approach to systematic structural and energetic screening of materials interfaces4.05 pm: short break4.30 pm: panel discussion led by Jochen Blumberger (UCL)5.30 pm: poster session including dinner & drinks \n\n\n\nThursday 15 December \n\n\n\nSession 3: modelling electrified interfaces9.00 am: Jan Rossmeisl (University of Copenhagen) – Electrocatalysis on high entropy alloys9.40 am: Margherita Buraschi (Imperial College London) – Efficient electron open boundaries for electrochemical applications10.05 am: Romain Reocreux (University College London) – Ten-Electron Count Rule for the Reactivity of Single-Atom Alloy Catalysts10:30 am: Tea / coffee break 11.00 am: Marc Koper (Leiden University) – New models for the platinum-electrolyte interface11.40 am: Matthew Darby (Imperial College London – Towards the development of a realistic model of the electrified Pt-water interface12.05 am: Nicodemo Di Pasquale (Brunel University London) – A coupled constant potential/quantum mechanical/molecular dynamics simulation for the description of the graphite-electrolyte double layer \n\n\n\n12.30 pm: lunch \n\n\n\nSession 4: chemical reactions at interfaces1.30 pm: Kristina Tschulik (Ruhr-Universitaet Bochum) – Exploring the metal/electrolyte interface by single nanoparticle electrochemistry2.10 pm: Philip Schienbein (University College London) – Solvation Dynamics at the hematite/liquid water interface2.35 pm: coffee & snacks2.55 pm: Karoliina Honkala (University of Jyväskylä) – Influence of reaction conditions on modeling electrocatalysis3.35 pm: Masaaki Kitano (Tokyo Institute of Technology) – Oxynitride-Hydrides as catalysts for ammonia synthesis4.00 pm: panel discussion led by Alexei Kornyshev (Imperial) and Clotilde Cucinotta (Imperial) \n\n\n\nFriday 16 December \n\n\n\nSession 5: electronic excitations at interfaces9.00 am: Santosh Kumar (Diamond Light Source): Development of liquid and electrochemical cells for in-situ NAP XPS/NEXAFS investigation9.40 am: Jack Strand (University College London) – Charging and Degradation of Amorphous Oxide Films in Electronic Devices10.05 am: Simone Piccinin (Instituto Officina dei Materiali\, Trieste) – Surface hole accumulation drives multielectron water oxidation on hematite photoanodes10.30 am: coffee & snacks10.50 am: Alfredo Pasquarello (EPFL) – Band alignment\, surface coverage and charge transfer at semiconductor-water interfaces11.30 am: Chengcheng Xiao (Imperial College London) – Fantastic Electrides and Where to Find Them11.55 am: Hideo Hosono (Tokyo Institute of Technology) – Extension of electride concept: electro-active space in crystals \n\n\n\n12.35 pm: lunch \n\n\n\nSession 6: energy conversion with 2D and layered materials1.50 pm: Cecilia Mattevi (Imperial) – A platform of 3D printed energy storage devices to power wearable sensors1:15 pm A.K. Thakur (Indian Institute of Technology Patna) – Doped Graphene Anode for Energy Storage Applications2.40 pm: coffee & snacks3.00 pm: Arkady Krasheninnikov (Helmholtz Zentrum Dresden-Rossendorf) – Single and multi-layers of alkali metal atoms inside graphene and MoS2 bilayers as well as their heterostructures: a systematic first-principles study3.40 pm: end of conference \n\n\n\nContact:Johannes Lischnerj.lischner@imperial.ac.uk \n\n\n\nOrganisers:Clotilde Cucinotta – Imperial College LondonJohannes Lischner – Imperial College LondonAlex Shluger – University College LondonKaren Stoneham – University College LondonMartijn Zwijnenburg – University College London \n\n\n\n\n\n\n\nSuggested hotels: \n\n\n\nGrange Hotels: The ClarendonThe BeauchampThe PortlandThe BuckinghamBlooms HotelThe White Hall HotelHoliday Inn London – BloomsburyHoliday Inn Regents Park HotelThe Academy HotelAmbassadors Bloomsbury HotelRadisson EdwardianKenilworth HotelThistle Bloomsbury Park
URL:https://thomasyoungcentre.org/event/6th-tyc-energy-materials-workshop-modelling-energy-interfaces/
CATEGORIES:Main event
ATTACH;FMTTYPE=image/bmp:https://thomasyoungcentre.org/wp-content/uploads/2022/05/figure4.bmp
ORGANIZER;CN="Scott Woodley":MAILTO:scott.woodley@ucl.ac.uk
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