TY - JOUR
T1 - PbSe quantum dots
T2 - Finite, off-stoichiometric, and structurally distorted
AU - Petkov, V.
AU - Moreels, I.
AU - Hens, Z.
AU - Ren, Y.
PY - 2010/6/8
Y1 - 2010/6/8
N2 - PbSe quantum dots with sizes of 2.8(1), 3.7(1), and 6.2(1) nm, freely suspended in solution, have been studied by high-energy x-ray diffraction coupled to atomic pair-distribution-function analysis and computer simulations. The atomic-scale structure of the quantum dots is best described by 371-, 763-, and 4084-atom configurations, respectively, that are substantially off-stoichiometric and structurally distorted. It is argued that such finite-size, "large-molecule-type" structure models and not quasi-infinite ones based on periodic crystalline lattices are better to be used when the properties of a few nanometer-sized materials, in particular, those of PbSe quantum dots, are to be explained in full detail.
AB - PbSe quantum dots with sizes of 2.8(1), 3.7(1), and 6.2(1) nm, freely suspended in solution, have been studied by high-energy x-ray diffraction coupled to atomic pair-distribution-function analysis and computer simulations. The atomic-scale structure of the quantum dots is best described by 371-, 763-, and 4084-atom configurations, respectively, that are substantially off-stoichiometric and structurally distorted. It is argued that such finite-size, "large-molecule-type" structure models and not quasi-infinite ones based on periodic crystalline lattices are better to be used when the properties of a few nanometer-sized materials, in particular, those of PbSe quantum dots, are to be explained in full detail.
UR - http://www.scopus.com/inward/record.url?scp=77956326788&partnerID=8YFLogxK
U2 - 10.1103/PhysRevB.81.241304
DO - 10.1103/PhysRevB.81.241304
M3 - Article
AN - SCOPUS:77956326788
SN - 1098-0121
VL - 81
JO - Physical Review B - Condensed Matter and Materials Physics
JF - Physical Review B - Condensed Matter and Materials Physics
IS - 24
M1 - 241304
ER -