Atomic structure of Pd-intercalated graphite by high-resolution electron microscopy and first principles calculations

Takeo Oku, Qiang Sun, Ding Sheng Wang, Qian Wang, Yoshiyuki Kawazoe, Gunter Schmid, Katsuaki Suganuma

Research output: Contribution to journalArticlepeer-review

4 Citations (Scopus)

Abstract

Atomic structure of Pd-intercalated graphite is investigated by high-resolution electron microscopy, and a structural model for the Pd intercalation in the graphite {002} planes is proposed. Image calculation based on the model agrees well with the observed HREM image. Structural optimization by ab initio ultrasoft pseudopotential confirms the stable structure of Pd intercalation, in good agreement with experimental results. The present work indicates that the combination of atomic observation with theoretical calculation is an effective method for determining the atomic structure.

Original languageEnglish
Pages (from-to)1213-1218
Number of pages6
JournalMaterials Transactions, JIM
Volume40
Issue number11
DOIs
Publication statusPublished - 1999

ASJC Scopus subject areas

  • Engineering(all)

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