Fig. 1From: A density functional theory study of Fe(II)/Fe(III) distribution in single layer green rust: a cluster approacha Schematic representation of single layer GR clusters with different sizes: (S) small (GR2 × 6), (M) medium (GR3 × 6) and (L) large (GR4 × 6). The brown dots represent Fe atoms. b Top and c side view of single layer GR clusters, where Fe atoms are colored brown, O atoms red and H atoms whiteBack to article page