Effect of the KF post-deposition treatment on grain boundary properties in Cu(In, Ga)Se2 thin films.

Significant power conversion efficiency improvements have recently been achieved for thin-film solar cells based on a variety of polycrystalline absorbers, including perovskites, CdTe, and Cu(In,Ga)Se2 (CIGS). The passivation of grain boundaries (GBs) through (post-deposition) treatments is a crucial step for this success. For the case of CIGS, the introduction of a potassium fluoride post-deposition treatment (KF-PDT) has boosted their power conversion efficiency to the best performance of all polycrystalline solar cells. Direct and indirect effects of potassium at the interface and interface-near region in the CIGS layer are thought to be responsible for this improvement. Here, we show that also the electronic properties of the GBs are beneficially modified by the KF-PDT. We used Kelvin probe force microscopy to study the effect of the KF-PDT on the CIGS surface by spatially resolved imaging of the surface potential. We find a clear difference for the GB electronic properties: the KF-PDT increases the band bending at GBs by about 70% and results in a narrower distribution of work function values at the GBs. This effect of the KF-PDT on the GB electronic properties is expected to contribute to the improved efficiency values observed for CIGS thin-film solar cells with KF-PDT.

PTCDA growth on Ge(111)-[Formula: see text] surfaces: a scanning tunneling microscopy study.

The initial stages of growth of PTCDA (3,4,9,10 perylene tetracarboxylic dianhydride) at room temperature (RT) on Ge(111)-[Formula: see text] surfaces have been studied by means of scanning tunneling microscopy (STM) under ultrahigh vacuum conditions. The results show that PTCDA molecules have a high mobility at RT on the well ordered areas of the semiconductor substrate, since nucleation is only observed in domain walls, steps and surface defects. However, no molecular ordering has been detected at submonolayer coverage. For higher coverages, the formation of three-dimensional (3D) molecular islands has been observed. These 3D islands present a crystalline nature as demostrated by molecularly resolved STM images. According to these STM measurements, PTCDA molecules are ordered in a herringbone structure, similar to the one observed in PTCDA bulk crystals. Moreover, the 3D crystallites are grown on top of a disordered molecular layer, which acts as a passivating layer.

Visualizing the interface state of PTCDA on Au(111) by scanning tunneling microscopy.

We have investigated by means of scanning tunneling microscopy (STM) and spectroscopy (STS) the electronic structure of PTCDA (3,4,9,10-perylene-tetracarboxylic-dianhydride) molecular monolayers grown on Au(111). Thanks to our STM/STS measurements, performed under ultra-high vacuum conditions and low temperature, an interface state directly derived from the Shockley-type surface state of pristine Au(111) has been detected. Low bias voltage STM images show the formation of standing wave patterns both on Au(111) and on Au(111) covered by a PTCDA monolayer. These patterns result from the scattering of quasi-free 2D electron surface states with surface defects. By Fourier transforming STM images, the corresponding wavevectors have been extracted. In particular, the simultaneous imaging of both pristine and PTCDA covered Au(111) areas has allowed to measure the Fermi contours and the Fermi wavevectors of both systems. These measurements show that one monolayer PTCDA on Au(111) presents an interface state with an isotropic circular Fermi contour and smaller Fermi wavector ([Formula: see text]) than the corresponding Fermi wavector of pristine Au(111) ([Formula: see text]). This picture is consistent with an upward shift of the Shockley-type surface state due to the presence of the molecular monolayer.

Growth of ordered molecular layers of PTCDA on Pb/Si(111) surfaces: a scanning tunneling microscopy study.

The growth of well-ordered layers of PTCDA (3,4,9,10-perylene-tetracarboxylic-dianhydride) molecules on Pb/Si(111) surfaces has been investigated by scanning tunneling microscopy (STM) under ultra-high vacuum conditions. These Pb/Si(111) substrates, which present several distinct phases with different reconstructions, have allowed the exploration of new passivation schemes for the growth of ordered organic layers on Si(111) surfaces. According to our STM measurements, the higher Pb coverage phases (namely the so-called hexagonal incommensurate and [Formula: see text] reconstructions) present rather inert surfaces that allow easy diffusion of PTCDA molecules at room temperature and the formation of a well ordered first molecular layer which displays a herringbone reconstruction. For multilayer PTCDA coverage on these Pb/Si(111) phases, the formation of three-dimensional crystallites, with structure similar to that of the bulk PTCDA crystal, has been observed, indicating that a Stranski-Krastanov growth mode is dominant. On lower Pb coverage substrates (presenting the defective [Formula: see text] and mosaic [Formula: see text] reconstructions) no long range PTCDA order has been obtained. The systematic variation of the substrate reconstruction has allowed in the present work the relation of the surface reactivity of each reconstruction to the formation of ordered layers of PTCDA on Pb/Si(111) substrates.

Atomic-Scale Variations of the Mechanical Response of 2D Materials Detected by Noncontact Atomic Force Microscopy.

We show that noncontact atomic force microscopy (AFM) is sensitive to the local stiffness in the atomic-scale limit on weakly coupled 2D materials, as graphene on metals. Our large amplitude AFM topography and dissipation images under ultrahigh vacuum and low temperature resolve the atomic and moiré patterns in graphene on Pt(111), despite its extremely low geometric corrugation. The imaging mechanisms are identified with a multiscale model based on density-functional theory calculations, where the energy cost of global and local deformations of graphene competes with short-range chemical and long-range van der Waals interactions. Atomic contrast is related with short-range tip-sample interactions, while the dissipation can be understood in terms of global deformations in the weakly coupled graphene layer. Remarkably, the observed moiré modulation is linked with the subtle variations of the local interplanar graphene-substrate interaction, opening a new route to explore the local mechanical properties of 2D materials at the atomic scale.