Ontology highlight
ABSTRACT:
SUBMITTER: Li F
PROVIDER: S-EPMC6731251 | biostudies-literature | 2019 Sep
REPOSITORIES: biostudies-literature
Nature communications 20190906 1
Hydrogen adsorption/desorption behavior plays a key role in hydrogen evolution reaction (HER) catalysis. The HER reaction rate is a trade-off between hydrogen adsorption and desorption on the catalyst surface. Herein, we report the rational balancing of hydrogen adsorption/desorption by orbital modulation using introduced environmental electronegative carbon/nitrogen (C/N) atoms. Theoretical calculations reveal that the empty d orbitals of iridium (Ir) sites can be reduced by interactions betwee ...[more]