Atomic structure and crystallography of joints in SnO2 nanowire networks

Joints of three-dimensional (3D) rutile-type (r) tin dioxide (SnO₂) nanowire networks, produced by the flame transport synthesis (FTS), are formed by coherent twin boundaries at (101)^r serving for the interpenetration of the nanowires. Transmission electron microscopy (TEM) methods, i.e. high resolution and (precession) electron diffraction (PED), were utilized to collect information of the atomic interface structure along the edge-on zone axes [010]^r, [111]^r and superposition directions [001]^r, [101]^r. A model of the twin boundary is generated by a supercell approach, serving as base for simulations of all given real and reciprocal space data as for the elaboration of three-dimensional, i.e. relrod and higher order Laue zones (HOLZ), contributions to the intensity distribution of PED patterns. Confirmed by the comparison of simulated and experimental findings, details of the structural distortion at the twin boundary can be demonstrated.