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The impact of van der Waals interaction on the electronic structure between a pentacene monolayer and a graphite surface was investigated. Upon cooling the monolayer, newly formed dispersive bands, showing the constant final state nature overlapping with the non-dispersive, discrete molecular orbital state, is observed by low-energy angle-resolved photoelectron spectroscopy. The dispersive band consists of positive and negative intensities depending on the final state energy, indicating Fano resonance involving a discrete molecular state that couples a continuum state upon photoionization. A wave-function overlap is demonstrated according to their larger spread in unoccupied states even at the weakly bounded interface by Fano spectral analysis.

Covalent organic frameworks (COFs) are a promising material for various applications such as gas storage/separation, catalysis, and energy storage, besides offering a confined space for chemical reaction. The introduction of unconventional elements into their frame structures and expanding their structural scope remains a major challenge in COF chemistry. Here, we present syntheses of two-dimensional and liner COFs substructures linked with 1,4-disilabenzene (C4Si2) by co-depositing silicon atoms and bromo-substituted poly aromatic hydrocarbons on Au(111). A combination of high-resolution scanning tunneling microscopy, photoelectron spectroscopy and density functional theory calculations reveal the detailed structures of the Si-incorporated COF, as well as its chemical properties. We find that each Si in a hexagonal C4Si2 ring is terminated by one Br atom. Furthermore, the C4Si2 ring can be transformed to the C4Si pentagonal ring by annealing. Silabenzene incorporated COFs may open up new possibilities in organosilicon chemistry and a wide range of practical applications.

Electronic charge rearrangement between components of a heterostructure is the fundamental principle to reach the electronic ground state. It is acknowledged that the density of states distribution of the components governs the amount of charge transfer, but a notable dependence on temperature has not yet been considered, particularly for weakly interacting systems. Here, we experimentally observe that the amount of ground state charge transfer in a van der Waals heterostructure formed by monolayer MoS2 sandwiched between graphite and a molecular electron acceptor layer increases by a factor of three when going from 7 K to room temperature. State-of-the-art electronic structure calculations of the full heterostructure that account for nuclear thermal fluctuations reveal intra-component electron-phonon coupling and inter-component electronic coupling as the key factors determining the amount of charge transfer. This conclusion is rationalized by a model applicable to multi-component van der Waals heterostructures.

The conduction band structure in methylammonium lead iodide (CH3NH3PbI3) was studied both by angle-resolved two-photon photoemission spectroscopy (AR-2PPE) with low-photon intensity and angle-resolved low-energy inverse photoelectron spectroscopy (AR-LEIPS). Clear energy dispersion of the conduction band along the {\Gamma}M direction was observed by these independent methods under different temperatures, and the dispersion was found to be consistent with band calculations under the cubic phase. The effective mass of the electrons at the {\Gamma} point was estimated to be (0.20+-0.05)m0 at 90 K. The observed energy position was largely different between the AR-LEIPS and AR-2PPE, demonstrating the electron correlation effects on the band structures. The present results also indicate that the surface structure in CH3NH3PbI3 provides the cubic-dominated electronic property even at lower temperatures., Comment: 23pages, 3figures

In this study, different electronic structure evolutions of perovskite single crystals are found via angle-resolved photoelectron spectroscopy (ARPES): (i) unchanged top valence band (VB) dispersions under different temperatures can be found in the CH3NH3PbI3, (ii) phase transitions induced the evolution of top VB dispersions, and even a top VB splitting with Rashba effects can be observed in the CH3NH3PbBr3. Combined with low-energy electron diffraction (LEED), metastable atom electron spectroscopy (MAES), and DFT calculation, we confirm different band structure evolutions observed in these two perovskite single crystals are originated from the cleaved top surface layers, where the different surface geometries with CH3NH3+-I in CH3NH3PbI3 and Pb-Br in CH3NH3PbBr3 are responsible for finding band dispersion change and appearing of the Rashba-type splitting. Such findings suggest that the top surface layer in organic halide perovskites should be carefully considered to create functional interfaces for developing perovskite devices., Comment: 4 figures

We have experimentally revealed the band structure and the surface Brillouin zone of insulating picene single crystals (SCs), the mother organic system for a recently discovered aromatic superconductor, with ultraviolet photoelectron spectroscopy (UPS) and low-energy electron diffraction with laser for photoconduction. A hole effective mass of 2.24 m_0 and the hole mobility mu_h >= 9.0 cm^2/Vs (298 K) were deduced in Gamma-Y direction. We have further shown that some picene SCs did not show charging during UPS even without the laser, which indicates that pristine UPS works for high-quality organic SCs., Comment: 5 pages, 4 figures, Phys. Rev. Lett. 108, 226401 (2012)