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16.5.2018

Welcome to the Cluster-Surface Interaction Workshop 2018

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CSI 2018 is the latest in a series of topical international conferences on clusters on surfaces, which began in its present form in 2010 at Stratford-upon-Avon, UK. The CSI Workshop is the principle venue for discussion of results in the area of cluster-beam deposition on surfaces, including the properties and performance of materials and devices prepared by this method, and associated theoretical modelling.

The workshop will be hosted by the Norwegian University of Science and Technology (NTNU) located in the city of Trondheim. The meeting dates include midsummer’s day, which provides our participants with a unique opportunity to enjoy the combination of midnight sun, beautiful Norwegian landscapes and the old Viking capital.

Trondheim is rather north (latitude 63 degrees), but it is easily accessible via air and has an international airport. The workshop will take place at Clarion hotel & Congress, with a good communication from and to the airport (busses every 10 min and taxi). The hotel is also next to the railway station.

More information: https://www.ntnu.edu/web/csi18/home


DFT studies of H adsorption on extended MoS2 surfaces completed

27.11.2017

The CritCat researchers have completed two research articles in view of obtaining a comprehensive picture of H adsorption in extended MoS2 surfaces and edges. The first article Hydrogen adsorption on MoS2-surfaces: a DFT study on preferential sites and the effect of sulfur and hydrogen coverage concentrated on H coverage effect on the basal plane and on the six differently sulfur-terminated edges. It also elucidated the role of vacancies and divacancies on the basal plane as catalytically active sites.

The second article Hydrogen adsorption on doped MoS2 nanostructures analyzed the effect of transition metal doping on the basal plane and on the edges in terms structural relaxations, doping probabilities and H adsorption characteristics. The articles contribute to CritCat's theoretical analysis of the hydrogen evolution reaction in novel catalysts and provide data for further machine learning developments.


Participation in 53rd Symposium on Theoretical Chemistry, 21.-25.8. Basel

CritCat member Mikko Hakala attended the theoretical chemistry symposium in Basel, Switzerland. The specific theme of the symposium this year is "Big Data in Chemistry: From Molecular Structure to Condensed Phase Dynamics". Dr. Hakala gave a contributed talk with the title "Hydrogen adsorption on MoS2 nanostructures for electrochemical applications".

Succesfull participation in 22nd meeting of the Portuguese Electrochemical Society


Two CritCat members from INL, Lifeng Liu and and Junyuan Xu attended the 22nd meeting of the Portuguese Electrochemical Society, June 19-22, 2017, Azores, Portugal. They gave speeches on topics "The oxygen evolution reaction catalyzed by transition metal phosphides: what are true catalytically active sites" and "Ruthenium – Cobalt Phosphide Hybrid Electrocatalysts with Superior Electrochemical Hydrogen Evolution Performance". Lifeng Liu's talk was a Keynote Lecture and Junyuan Xu was awarded the Best poster prize.


Articles by the CritCat partners

           2018