Ontology highlight
ABSTRACT:
SUBMITTER: Bang J
PROVIDER: S-EPMC3549080 | biostudies-other | 2013 Jan
REPOSITORIES: biostudies-other
Proceedings of the National Academy of Sciences of the United States of America 20121231 3
Understanding and controlling of excited carrier dynamics is of fundamental and practical importance, particularly in photochemistry and solar energy applications. However, theory of energy relaxation of excited carriers is still in its early stage. Here, using ab initio molecular dynamics (MD) coupled with time-dependent density functional theory, we show a coverage-dependent energy transfer of photoexcited carriers in hydrogenated graphene, giving rise to distinctively different ion dynamics. ...[more]