134 citations · 299 across the 7 of their papers we have counts for
10 papers · 1 filter
Data Management Plans: the Importance of Data Management in the BIG-MAP Project
Ivano E. Castelli, Daniel J. Arismendi-Arrieta, Arghya Bhowmik +27
Open access to research data is increasingly important for accelerating research. Grant authorities therefore request detailed plans for how data is managed in the projects they fi…
Automatic diffusion path exploration for multivalent battery cathodes using geometrical descriptors
Felix T. Bölle, Arghya Bhowmik, Tejs Vegge +2
Stable and fast ionic conductors for magnesium cathode materials have the prospect of enabling high energy density batteries beyond current Lithium-ion technologies. So far, only a…
Atomic-scale insights into electro-steric substitutional chemistry of cerium oxide
Haiwu Zhang, Ivano E. Castelli, Simone Santucci +3
Cerium oxide (ceria, CeO2) is one of the most promising mixed ionic and electronic conducting materials. Previous atomistic analysis has covered widely the effects of substitution…
Oxygen Evolution Reaction on Perovskites: A Multieffect Descriptor Study Combining Experimental and Theoretical Methods
Xi Cheng, Emiliana Fabbri, Yuya Yamashita +6
The correlation between ex situ electronic conductivity, oxygen vacancy content, flat-band potential (Efb), and the oxygen evolution reaction (OER) activity for a wide range of per…
Highly Active Nanoperovskite Catalysts for Oxygen Evolution Reaction: Insights into Activity and Stability of Ba0.5Sr0.5Co0.8Fe0.2O3 and PrBaCo2O6
Bae Jung Kim, Xi Cheng, Daniel Abbott +9
It is shown that producing PrBaCo2O5 and Ba0.5Sr0.5Co0.8Fe0.2O3 nanoparticle by a scalable synthesis method leads to high mass activities for the oxygen evolution reaction with out…
Structural and chemical mechanisms governing stability of inorganic Janus nanotubes
Felix Tim Bölle, August E. G. Mikkelsen, Kristian S. Thygesen +2
One-dimensional inorganic nanotubes hold promise for technological applications due to their distinct physical/chemical properties, but so far advancements have been hampered by di…