The evolution of crystalline ordering for ligand-ornamented zinc oxide nanoparticles

Beitrag in einer Fachzeitschrift

Details zur Publikation

Autorinnen und Autoren: Zobel M, Windmueller A, Schmidt E, Götz K, Milek T, Zahn D, Kimber SAJ, Hudspeth JM, Neder R
Zeitschrift: Crystengcomm
Jahr der Veröffentlichung: 2016
Band: 18
Heftnummer: 12
Seitenbereich: 2163-2172
ISSN: 1466-8033


Recent total scattering experiments have opened up the possibility to study nanoparticle formation in situ and to observe the structural transformation from precursor clusters to adult particles. Organic ligand molecules interact with precursors of metal oxide nanoparticles, yet their influence onto the evolution of crystallinity during particle formation has not been addressed in detail; nor have in situ total scattering experiments ventured into the field of low-concentration, room-temperature syntheses in organic solvents to date. In this report, we follow the crystallization of ZnO nanoparticles in ethanol in the presence of different organic ligands. Low coordinated zinc precursor clusters rapidly polymerize upon base addition to particles of ca. 1 nm in diameter. In situ SAXS experiments reveal that the overall particle size increases to 2 to 4 nm with advancing reaction time. Complementary in situ PDF experiments show smaller crystalline domain sizes, which are only one third to half as large as the particle diameter. The ZnO particles thus feature a crystalline core surrounded by a disordered shell. Both, the core and the shell diameter are influenced by the different surface-bound organic ligands, which prevent an immediate relaxation to fully crystalline particles. A slow crystallization takes place in solution. We assume a dynamic equilibrium of the ligand and solvent molecules at the particle surface, which enables gradual bond restructuring. With suitably adjusted synthesis conditions, in our case by a continuous base addition, we show how to bypass the disordered intermediates, allowing the spontaneous nucleation of fully crystalline nanoparticles.

FAU-Autorinnen und Autoren / FAU-Herausgeberinnen und Herausgeber

Götz, Klaus
Lehrstuhl für Kristallographie und Strukturphysik
Milek, Theodor
Lehrstuhl für Theoretische Chemie
Neder, Reinhard Prof. Dr.
Professur für Allgemeine Mineralogie/Kristallographie
Schmidt, Ella
Lehrstuhl für Kristallographie und Strukturphysik
Zahn, Dirk Prof. Dr.
Professur für Theoretische Chemie
Zobel, Mirijam
Lehrstuhl für Kristallographie und Strukturphysik

Zusätzliche Organisationseinheit(en)
Exzellenz-Cluster Engineering of Advanced Materials

Einrichtungen weiterer Autorinnen und Autoren

European Synchrotron Radiation Facility (ESRF)


A3 Multiscale Modeling and Simulation
Exzellenz-Cluster Engineering of Advanced Materials


Zobel, M., Windmueller, A., Schmidt, E., Götz, K., Milek, T., Zahn, D.,... Neder, R. (2016). The evolution of crystalline ordering for ligand-ornamented zinc oxide nanoparticles. Crystengcomm, 18(12), 2163-2172.

Zobel, Mirijam, et al. "The evolution of crystalline ordering for ligand-ornamented zinc oxide nanoparticles." Crystengcomm 18.12 (2016): 2163-2172.


Zuletzt aktualisiert 2018-10-08 um 15:55