3 papers
physics.chem-ph2024
Anomalous Enhancement of the Electrocatalytic Hydrogen Evolution Reaction in AuPt Nanoclusters
Jiahui Kang, Jan Kloppenburg, Jiali Sheng +10
Energy- and resource-efficient electrocatalytic water splitting is of paramount importance to enable sustainable hydrogen production. The best bulk catalyst for the hydrogen evolut…
physics.chem-ph2024
Syngas conversion to higher alcohols via wood-framed Cu/Co-carbon catalyst
Guihua Yan, Paulina Pršlja, Gaofeng Chen +6
Syngas conversion into higher alcohols represents a promising avenue for transforming coal or biomass into liquid fuels. However, the commercialization of this process has been hin…
cond-mat.mtrl-sci2024
GPAW: An open Python package for electronic-structure calculations
Jens Jørgen Mortensen, Ask Hjorth Larsen, Mikael Kuisma +44
We review the GPAW open-source Python package for electronic structure calculations. GPAW is based on the projector-augmented wave method and can solve the self-consistent density…